Mol:FL7AAAGL0044
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 79 86 0 0 0 0 0 0 0 0999 V2000 | + | 79 86 0 0 0 0 0 0 0 0999 V2000 |
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− | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
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− | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
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− | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
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− | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
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− | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
− | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
− | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
− | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
− | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
− | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
− | 68 69 2 0 0 0 0 | + | 68 69 2 0 0 0 0 |
− | 69 64 1 0 0 0 0 | + | 69 64 1 0 0 0 0 |
− | 67 70 1 0 0 0 0 | + | 67 70 1 0 0 0 0 |
− | 22 71 1 0 0 0 0 | + | 22 71 1 0 0 0 0 |
− | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
− | 66 72 1 0 0 0 0 | + | 66 72 1 0 0 0 0 |
− | 74 75 1 0 0 0 0 | + | 74 75 1 0 0 0 0 |
− | 53 74 1 0 0 0 0 | + | 53 74 1 0 0 0 0 |
− | 76 77 1 0 0 0 0 | + | 76 77 1 0 0 0 0 |
− | 68 76 1 0 0 0 0 | + | 68 76 1 0 0 0 0 |
− | 78 79 1 0 0 0 0 | + | 78 79 1 0 0 0 0 |
− | 34 78 1 0 0 0 0 | + | 34 78 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 72 73 | + | M SAL 1 2 72 73 |
− | M SBL 1 1 80 | + | M SBL 1 1 80 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 80 -0.3526 0.7281 | + | M SBV 1 80 -0.3526 0.7281 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 74 75 | + | M SAL 2 2 74 75 |
− | M SBL 2 1 82 | + | M SBL 2 1 82 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 82 -0.7280 -0.4203 | + | M SBV 2 82 -0.7280 -0.4203 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 76 77 | + | M SAL 3 2 76 77 |
− | M SBL 3 1 84 | + | M SBL 3 1 84 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SBV 3 84 -0.5861 -0.7799 | + | M SBV 3 84 -0.5861 -0.7799 |
− | M STY 1 4 SUP | + | M STY 1 4 SUP |
− | M SLB 1 4 4 | + | M SLB 1 4 4 |
− | M SAL 4 2 78 79 | + | M SAL 4 2 78 79 |
− | M SBL 4 1 86 | + | M SBL 4 1 86 |
− | M SMT 4 ^ CH2OH | + | M SMT 4 ^ CH2OH |
− | M SBV 4 86 0.4562 -0.4303 | + | M SBV 4 86 0.4562 -0.4303 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AAAGL0044 | + | ID FL7AAAGL0044 |
− | FORMULA C53H57O26 | + | FORMULA C53H57O26 |
− | EXACTMASS 1109.313806996 | + | EXACTMASS 1109.313806996 |
− | AVERAGEMASS 1110.00408 | + | AVERAGEMASS 1110.00408 |
− | SMILES O(C(C(OC(C(OC(C=Cc(c8)cc(OC)c(O)c(OC)8)=O)7)OCC(C7O)O)5)OC(COC(C=Cc(c6)cc(OC)c(c6)O)=O)C(C(O)5)O)c(c2c(c4)ccc(O)c4)cc(c1OC(C3O)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O | + | SMILES O(C(C(OC(C(OC(C=Cc(c8)cc(OC)c(O)c(OC)8)=O)7)OCC(C7O)O)5)OC(COC(C=Cc(c6)cc(OC)c(c6)O)=O)C(C(O)5)O)c(c2c(c4)ccc(O)c4)cc(c1OC(C3O)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
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0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 64 1 0 0 0 0 67 70 1 0 0 0 0 22 71 1 0 0 0 0 72 73 1 0 0 0 0 66 72 1 0 0 0 0 74 75 1 0 0 0 0 53 74 1 0 0 0 0 76 77 1 0 0 0 0 68 76 1 0 0 0 0 78 79 1 0 0 0 0 34 78 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 72 73 M SBL 1 1 80 M SMT 1 OCH3 M SBV 1 80 -0.3526 0.7281 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 74 75 M SBL 2 1 82 M SMT 2 OCH3 M SBV 2 82 -0.7280 -0.4203 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 76 77 M SBL 3 1 84 M SMT 3 OCH3 M SBV 3 84 -0.5861 -0.7799 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 78 79 M SBL 4 1 86 M SMT 4 ^ CH2OH M SBV 4 86 0.4562 -0.4303 S SKP 5 ID FL7AAAGL0044 FORMULA C53H57O26 EXACTMASS 1109.313806996 AVERAGEMASS 1110.00408 SMILES O(C(C(OC(C(OC(C=Cc(c8)cc(OC)c(O)c(OC)8)=O)7)OCC(C7O)O)5)OC(COC(C=Cc(c6)cc(OC)c(c6)O)=O)C(C(O)5)O)c(c2c(c4)ccc(O)c4)cc(c1OC(C3O)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O M END