Mol:FL3FELNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0294 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0294 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4089 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4089 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9547 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9547 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1209 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1209 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7415 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7415 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1957 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1957 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6667 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6667 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8330 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8330 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4535 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4535 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9077 1.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9077 1.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1830 0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1830 0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6196 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6196 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1567 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1567 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3261 3.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3261 3.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9585 3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9585 3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4215 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4215 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2520 2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2520 2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3344 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3344 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1280 4.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1280 4.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7149 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7149 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6190 4.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6190 4.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9118 4.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9118 4.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7938 -1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7938 -1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1180 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1180 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7195 -0.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7195 -0.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6854 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6854 -0.9493 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -2.4197 0.77 | + | M SVB 3 27 -2.4197 0.77 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.7769 -0.3996 | + | M SVB 2 25 -2.7769 -0.3996 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 2.0624 0.2661 | + | M SVB 1 23 2.0624 0.2661 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FELNS0002 | + | ID FL3FELNS0002 |
| − | KNApSAcK_ID C00003938 | + | KNApSAcK_ID C00003938 |
| − | NAME Arcapillin | + | NAME Arcapillin |
| − | CAS_RN 83162-82-7 | + | CAS_RN 83162-82-7 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c(C(O2)=CC(c(c3O)c2cc(c3OC)OC)=O)1)(O)cc(O)c(OC)c1 | + | SMILES c(c(C(O2)=CC(c(c3O)c2cc(c3OC)OC)=O)1)(O)cc(O)c(OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -3.0294 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1209 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 1.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 3.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3344 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 4.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 4.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 4.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 -1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 -0.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6854 -0.9493 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.4197 0.77 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.7769 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 2.0624 0.2661 S SKP 8 ID FL3FELNS0002 KNApSAcK_ID C00003938 NAME Arcapillin CAS_RN 83162-82-7 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(c(C(O2)=CC(c(c3O)c2cc(c3OC)OC)=O)1)(O)cc(O)c(OC)c1 M END
