Mol:FL7AACGL0079
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 64 70 0 0 0 0 0 0 0 0999 V2000 | + | 64 70 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2741 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2741 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2741 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2741 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5526 0.1601 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5526 0.1601 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8310 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8310 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8310 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8310 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5526 1.8265 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5526 1.8265 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1095 0.1601 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1095 0.1601 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6121 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6121 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6121 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6121 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1095 1.8265 -0.0886 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.1095 1.8265 -0.0886 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3333 1.8263 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3333 1.8263 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0686 1.4018 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0686 1.4018 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8041 1.8263 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8041 1.8263 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8041 2.6755 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8041 2.6755 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0686 3.1000 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0686 3.1000 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3333 2.6755 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3333 2.6755 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9954 1.8263 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9954 1.8263 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5392 3.1000 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5392 3.1000 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5526 -0.6727 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5526 -0.6727 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4266 0.0797 -0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4266 0.0797 -0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2943 -1.0308 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2943 -1.0308 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9464 -1.6334 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9464 -1.6334 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6155 -1.4422 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6155 -1.4422 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2885 -1.6334 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2885 -1.6334 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6365 -1.0308 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6365 -1.0308 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9673 -1.2219 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9673 -1.2219 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6481 -1.2039 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6481 -1.2039 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4545 0.6579 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4545 0.6579 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1065 0.0553 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1065 0.0553 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7757 0.2466 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7757 0.2466 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4487 0.0553 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4487 0.0553 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7967 0.6579 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7967 0.6579 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1275 0.4668 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1275 0.4668 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8083 0.4847 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8083 0.4847 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5488 1.0250 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5488 1.0250 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5610 0.5121 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5610 0.5121 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0666 0.2241 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0666 0.2241 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4673 -0.2378 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4673 -0.2378 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3779 -1.6334 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3779 -1.6334 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2352 -2.0591 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2352 -2.0591 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2885 -2.2204 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2885 -2.2204 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0686 3.9490 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0686 3.9490 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9921 -0.6204 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9921 -0.6204 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5106 -1.2558 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5106 -1.2558 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8173 -0.9863 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8173 -0.9863 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1483 -0.9790 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1483 -0.9790 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6344 -0.4928 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6344 -0.4928 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2409 -0.8129 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2409 -0.8129 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6365 -0.8415 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6365 -0.8415 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2803 -1.1906 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2803 -1.1906 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1505 -1.4482 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1505 -1.4482 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9837 -2.3895 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9837 -2.3895 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4562 -3.2080 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4562 -3.2080 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1847 -2.3931 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1847 -2.3931 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7873 -3.2257 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7873 -3.2257 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0352 -3.2292 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0352 -3.2292 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3814 -2.5171 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3814 -2.5171 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2147 -2.5209 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2147 -2.5209 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6313 -3.2369 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6313 -3.2369 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2147 -3.9490 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2147 -3.9490 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3814 -3.9452 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3814 -3.9452 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4638 -3.2408 0.0511 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4638 -3.2408 0.0511 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9627 -0.2302 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9627 -0.2302 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9291 -0.5073 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9291 -0.5073 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 15 42 1 0 0 0 0 | + | 15 42 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 19 1 0 0 0 0 | + | 46 19 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 52 54 1 0 0 0 0 | + | 52 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 56 1 0 0 0 0 | + | 61 56 1 0 0 0 0 |
| − | 59 62 1 0 0 0 0 | + | 59 62 1 0 0 0 0 |
| − | 39 52 1 0 0 0 0 | + | 39 52 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 48 63 1 0 0 0 0 | + | 48 63 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 63 64 | + | M SAL 1 2 63 64 |
| − | M SBL 1 1 70 | + | M SBL 1 1 70 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 70 0.7217 -0.5826 | + | M SBV 1 70 0.7217 -0.5826 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0079 | + | ID FL7AACGL0079 |
| − | FORMULA C42H47O22 | + | FORMULA C42H47O22 |
| − | EXACTMASS 903.255898188 | + | EXACTMASS 903.255898188 |
| − | AVERAGEMASS 903.80938 | + | AVERAGEMASS 903.80938 |
| − | SMILES C(C1Oc(c5c(c7)cc(c(c7)O)O)cc(c4OC(O6)C(O)C(O)C(C6CO)O)c([o+1]5)cc(c4)O)(O)C(O)C(C(COC(C3O)OC(C)C(C3O)OC(=O)C=Cc(c2)ccc(O)c2)O1)O | + | SMILES C(C1Oc(c5c(c7)cc(c(c7)O)O)cc(c4OC(O6)C(O)C(O)C(C6CO)O)c([o+1]5)cc(c4)O)(O)C(O)C(C(COC(C3O)OC(C)C(C3O)OC(=O)C=Cc(c2)ccc(O)c2)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-2.2741 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2741 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5526 0.1601 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5526 1.8265 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1095 0.1601 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6121 0.5768 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6121 1.4100 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1095 1.8265 -0.0886 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3333 1.8263 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0686 1.4018 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8041 1.8263 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8041 2.6755 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0686 3.1000 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3333 2.6755 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9954 1.8263 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5392 3.1000 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5526 -0.6727 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4266 0.0797 -0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2943 -1.0308 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9464 -1.6334 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6155 -1.4422 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2885 -1.6334 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6365 -1.0308 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9673 -1.2219 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6481 -1.2039 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4545 0.6579 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1065 0.0553 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7757 0.2466 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4487 0.0553 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7967 0.6579 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1275 0.4668 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8083 0.4847 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5488 1.0250 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5610 0.5121 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0666 0.2241 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4673 -0.2378 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3779 -1.6334 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2352 -2.0591 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2885 -2.2204 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0686 3.9490 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9921 -0.6204 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5106 -1.2558 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8173 -0.9863 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1483 -0.9790 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6344 -0.4928 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2409 -0.8129 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6365 -0.8415 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2803 -1.1906 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1505 -1.4482 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9837 -2.3895 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4562 -3.2080 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1847 -2.3931 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7873 -3.2257 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0352 -3.2292 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -2.5171 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2147 -2.5209 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6313 -3.2369 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2147 -3.9490 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -3.9452 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4638 -3.2408 0.0511 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9627 -0.2302 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9291 -0.5073 -0.0886 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
15 42 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 19 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 56 1 0 0 0 0
59 62 1 0 0 0 0
39 52 1 0 0 0 0
63 64 1 0 0 0 0
48 63 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 63 64
M SBL 1 1 70
M SMT 1 ^CH2OH
M SBV 1 70 0.7217 -0.5826
S SKP 5
ID FL7AACGL0079
FORMULA C42H47O22
EXACTMASS 903.255898188
AVERAGEMASS 903.80938
SMILES C(C1Oc(c5c(c7)cc(c(c7)O)O)cc(c4OC(O6)C(O)C(O)C(C6CO)O)c([o+1]5)cc(c4)O)(O)C(O)C(C(COC(C3O)OC(C)C(C3O)OC(=O)C=Cc(c2)ccc(O)c2)O1)O
M END
