Mol:FL1CECNS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
− | -2.4502 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4502 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4502 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4502 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8939 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3376 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3376 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3376 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3376 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8939 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7813 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7813 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2250 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2250 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3311 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3311 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8872 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4482 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0092 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0092 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0092 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0092 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4482 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4482 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8872 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7813 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7813 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8939 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6253 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6253 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0061 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0061 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6253 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6253 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8939 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8939 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0061 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0061 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2092 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2092 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7815 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7815 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0670 0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0670 0.2297 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
− | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
− | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 13 1 0 0 0 0 | + | 20 13 1 0 0 0 0 |
− | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
− | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
− | M SBL 1 1 24 | + | M SBL 1 1 24 |
− | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
− | M SBV 1 24 -6.6319 4.1824 | + | M SBV 1 24 -6.6319 4.1824 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
− | M SBL 2 1 26 | + | M SBL 2 1 26 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 26 -5.5200 3.9216 | + | M SBV 2 26 -5.5200 3.9216 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CECNS0002 | + | ID FL1CECNS0002 |
− | KNApSAcK_ID C00007030 | + | KNApSAcK_ID C00007030 |
− | NAME Agestricin A | + | NAME Agestricin A |
− | CAS_RN 85563-73-1 | + | CAS_RN 85563-73-1 |
− | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
− | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
− | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
− | SMILES c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O | + | SMILES c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.4502 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0092 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 0.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 0.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 0.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.2297 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 13 1 0 0 0 0 6 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 ^OCH3 M SBV 1 24 -6.6319 4.1824 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SBV 2 26 -5.5200 3.9216 S SKP 8 ID FL1CECNS0002 KNApSAcK_ID C00007030 NAME Agestricin A CAS_RN 85563-73-1 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c3O)(OC)cc(c(c3OC)C(=O)C=Cc(c1)cc(O2)c(OC2)c1)O M END