Mol:FL7AAIGL0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 58 63 0 0 0 0 0 0 0 0999 V2000 | + | 58 63 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3145 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3145 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3145 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3145 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8849 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8849 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8849 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8849 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1702 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1702 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5446 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5446 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5446 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5446 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1702 0.6788 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.1702 0.6788 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2591 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2591 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9876 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9876 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7161 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7161 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7161 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7161 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9876 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9876 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2591 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2591 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0290 0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0290 0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4383 1.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4383 1.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5983 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5983 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3474 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3474 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5359 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5359 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1911 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1911 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8540 -1.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8540 -1.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5207 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5207 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8654 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8654 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2026 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2026 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8833 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8833 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5304 -0.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5304 -0.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6155 -0.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6155 -0.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2452 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2452 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7023 -1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7023 -1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1926 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1926 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6969 -3.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6969 -3.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3424 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3424 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9463 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9463 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1381 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1381 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7465 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7465 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9633 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9633 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5715 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5715 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9632 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9632 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7464 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7464 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2111 -3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2111 -3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1880 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1880 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7110 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7110 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0243 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0243 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3617 -1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 -1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8431 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8431 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4441 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4441 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7023 -1.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7023 -1.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4898 -2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4898 -2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2596 -2.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2596 -2.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6225 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6225 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0022 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0022 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6225 -3.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6225 -3.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3217 0.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3217 0.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6066 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6066 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0025 2.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0025 2.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5696 3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5696 3.7703 0.0000 C 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 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 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 52 54 2 0 0 0 0 | + | 52 54 2 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 13 55 1 0 0 0 0 | + | 13 55 1 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 15 57 1 0 0 0 0 | + | 15 57 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 55 56 | + | M SAL 1 2 55 56 |
| − | M SBL 1 1 61 | + | M SBL 1 1 61 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 61 -0.6056 0.4345 | + | M SBV 1 61 -0.6056 0.4345 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 57 58 | + | M SAL 2 2 57 58 |
| − | M SBL 2 1 63 | + | M SBL 2 1 63 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 63 -0.0149 -0.6770 | + | M SBV 2 63 -0.0149 -0.6770 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0015 | + | ID FL7AAIGL0015 |
| − | FORMULA C39H41O19 | + | FORMULA C39H41O19 |
| − | EXACTMASS 813.22420413 | + | EXACTMASS 813.22420413 |
| − | AVERAGEMASS 813.73144 | + | AVERAGEMASS 813.73144 |
| − | SMILES OC(C(O)1)C(OC(C)=O)C(Oc(c6)c(c3cc6O)cc(OC(O4)C(O)C(C(O)C4COC(C=Cc(c5)ccc(O)c5)=O)O)c([o+1]3)c(c2)cc(c(c2OC)O)OC)OC1 | + | SMILES OC(C(O)1)C(OC(C)=O)C(Oc(c6)c(c3cc6O)cc(OC(O4)C(O)C(C(O)C4COC(C=Cc(c5)ccc(O)c5)=O)O)c([o+1]3)c(c2)cc(c(c2OC)O)OC)OC1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
58 63 0 0 0 0 0 0 0 0999 V2000
-2.3145 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3145 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1702 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5446 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5446 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1702 0.6788 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.2591 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7161 0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7161 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9876 1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2591 1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0290 0.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4383 1.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5983 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3474 -1.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5359 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8540 -1.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5207 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8654 -0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2026 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8833 -0.7186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5304 -0.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6155 -0.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2452 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7023 -1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1926 -2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6969 -3.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 -2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9463 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1381 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7465 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9633 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5715 -3.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9632 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7464 -3.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2111 -3.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1880 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7110 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0243 -1.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 -1.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8431 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4441 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7023 -1.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4898 -2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2596 -2.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6225 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0022 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6225 -3.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3217 0.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6066 0.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0025 2.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5696 3.7703 0.0000 C 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
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 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
51 52 1 0 0 0 0
52 53 1 0 0 0 0
52 54 2 0 0 0 0
55 56 1 0 0 0 0
13 55 1 0 0 0 0
57 58 1 0 0 0 0
15 57 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 55 56
M SBL 1 1 61
M SMT 1 OCH3
M SBV 1 61 -0.6056 0.4345
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 57 58
M SBL 2 1 63
M SMT 2 OCH3
M SBV 2 63 -0.0149 -0.6770
S SKP 5
ID FL7AAIGL0015
FORMULA C39H41O19
EXACTMASS 813.22420413
AVERAGEMASS 813.73144
SMILES OC(C(O)1)C(OC(C)=O)C(Oc(c6)c(c3cc6O)cc(OC(O4)C(O)C(C(O)C4COC(C=Cc(c5)ccc(O)c5)=O)O)c([o+1]3)c(c2)cc(c(c2OC)O)OC)OC1
M END
