Mol:FL7AACGL0060
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 63 69 0 0 0 0 0 0 0 0999 V2000 | + | 63 69 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.2340 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2340 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5195 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8051 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8051 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.0663 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7945 0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7945 0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7945 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7945 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.9482 0.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9482 0.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5224 1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5224 1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5195 -1.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 -1.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3865 -1.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3865 -1.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0748 -0.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0748 -0.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5907 -1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5907 -1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3337 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3337 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0506 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0506 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5297 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5297 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8797 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8797 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8498 -1.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8498 -1.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0096 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0096 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6650 -1.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6650 -1.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0663 2.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0663 2.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9207 -1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9207 -1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4441 -2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4441 -2.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7576 -2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7576 -2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0952 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0952 -2.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5765 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5765 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1771 -2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1771 -2.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4348 -2.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4348 -2.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1195 -2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1195 -2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1553 -2.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1553 -2.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1980 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1980 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1552 -3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1552 -3.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5924 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5924 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5568 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5568 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9301 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9301 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1102 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1102 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1825 -3.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1825 -3.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0595 -4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0595 -4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1840 -2.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1840 -2.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0083 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0083 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7638 -0.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7638 -0.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0101 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0101 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7743 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7743 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7760 2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7760 2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1209 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1209 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1227 3.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1227 3.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7796 3.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7796 3.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4348 3.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4348 3.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4330 2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4330 2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7815 4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7815 4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3481 -0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3481 -0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4096 -4.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4096 -4.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7754 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7754 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3404 -1.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3404 -1.0147 0.0000 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 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 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 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 19 1 0 0 0 0 | + | 34 19 1 0 0 0 0 |
| − | 25 40 1 0 0 0 0 | + | 25 40 1 0 0 0 0 |
| − | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 44 43 1 1 0 0 0 | + | 44 43 1 1 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 27 44 1 0 0 0 0 | + | 27 44 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 49 51 1 0 0 0 0 | + | 49 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 53 1 0 0 0 0 | + | 58 53 1 0 0 0 0 |
| − | 56 59 1 0 0 0 0 | + | 56 59 1 0 0 0 0 |
| − | 60 49 1 0 0 0 0 | + | 60 49 1 0 0 0 0 |
| − | 60 40 1 0 0 0 0 | + | 60 40 1 0 0 0 0 |
| − | 42 61 1 0 0 0 0 | + | 42 61 1 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 36 62 1 0 0 0 0 | + | 36 62 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 62 63 | + | M SAL 1 2 62 63 |
| − | M SBL 1 1 69 | + | M SBL 1 1 69 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 69 0.5983 -0.5105 | + | M SBV 1 69 0.5983 -0.5105 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0060 | + | ID FL7AACGL0060 |
| − | FORMULA C41H45O22 | + | FORMULA C41H45O22 |
| − | EXACTMASS 889.240248124 | + | EXACTMASS 889.240248124 |
| − | AVERAGEMASS 889.7828 | + | AVERAGEMASS 889.7828 |
| − | SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O | + | SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
-3.2340 0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2340 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0906 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0906 0.5407 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3381 0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7945 0.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7945 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3381 1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9482 0.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5224 1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.3865 -1.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0748 -0.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5907 -1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3337 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0506 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5297 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8797 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8498 -1.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0096 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6650 -1.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 2.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.1980 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5924 -3.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5568 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9301 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 -2.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1825 -3.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0595 -4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1840 -2.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0083 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7638 -0.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0101 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7743 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7760 2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1209 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1227 3.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7796 3.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4348 3.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4330 2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7815 4.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3481 -0.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4096 -4.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7754 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3404 -1.0147 0.0000 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 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
15 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
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34 19 1 0 0 0 0
25 40 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
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45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
20 21 1 0 0 0 0
27 44 1 0 0 0 0
48 43 1 0 0 0 0
49 50 2 0 0 0 0
49 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 53 1 0 0 0 0
56 59 1 0 0 0 0
60 49 1 0 0 0 0
60 40 1 0 0 0 0
42 61 1 0 0 0 0
62 63 1 0 0 0 0
36 62 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 62 63
M SBL 1 1 69
M SMT 1 ^ CH2OH
M SBV 1 69 0.5983 -0.5105
S SKP 5
ID FL7AACGL0060
FORMULA C41H45O22
EXACTMASS 889.240248124
AVERAGEMASS 889.7828
SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O
M END
