Mol:FL2FG9NS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5456 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5456 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0107 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2357 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0368 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0368 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5367 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5367 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8452 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8452 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4086 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4086 1.9107 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 1 0 0 0 0 | + | 8 9 1 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 |
− | 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 3 2 23 24 |
− | M SBL 3 1 25 | + | M SBL 3 1 25 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 25 -0.8452 1.011 | + | M SVB 3 25 -0.8452 1.011 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
− | M SBL 2 1 23 | + | M SBL 2 1 23 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 23 -1.5597 -1.0073 | + | M SVB 2 23 -1.5597 -1.0073 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
− | M SBL 1 1 21 | + | M SBL 1 1 21 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 21 -2.0368 0.7355 | + | M SVB 1 21 -2.0368 0.7355 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FG9NS0002 | + | ID FL2FG9NS0002 |
− | KNApSAcK_ID C00008160 | + | KNApSAcK_ID C00008160 |
− | NAME Isopedicin | + | NAME Isopedicin |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
− | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
− | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
− | SMILES O(C2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)O)OC | + | SMILES O(C2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0368 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 1.9107 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 1 0 0 0 0 9 10 1 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 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -0.8452 1.011 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.5597 -1.0073 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.0368 0.7355 S SKP 8 ID FL2FG9NS0002 KNApSAcK_ID C00008160 NAME Isopedicin CAS_RN - FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES O(C2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)O)OC M END