Mol:FL1CHYNF0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7355 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7355 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7355 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1792 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6228 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6228 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6228 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1792 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0665 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0665 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4898 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4898 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0458 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0458 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6019 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1629 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1629 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7239 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7239 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7239 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7239 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1629 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1629 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6019 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6019 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0665 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0665 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3464 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3464 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7239 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7239 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3464 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3464 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6156 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6156 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9011 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9011 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6088 -0.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6088 -0.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3233 -0.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3233 -0.9325 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 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 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 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 22 -5.7978 3.7225 | + | M SBV 1 22 -5.7978 3.7225 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
− | M SBL 2 1 24 | + | M SBL 2 1 24 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 24 -5.7983 3.7228 | + | M SBV 2 24 -5.7983 3.7228 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CHYNF0004 | + | ID FL1CHYNF0004 |
− | KNApSAcK_ID C00007021 | + | KNApSAcK_ID C00007021 |
− | NAME O-Methylpongamol | + | NAME O-Methylpongamol |
− | CAS_RN 80158-88-9 | + | CAS_RN 80158-88-9 |
− | FORMULA C19H16O4 | + | FORMULA C19H16O4 |
− | EXACTMASS 308.104859 | + | EXACTMASS 308.104859 |
− | AVERAGEMASS 308.32794 | + | AVERAGEMASS 308.32794 |
− | SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=C(OC)c(c1)cccc1 | + | SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=C(OC)c(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.7355 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4898 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1629 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1629 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 0.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 -0.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -0.9325 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 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 2 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 9 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -5.7978 3.7225 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SBV 2 24 -5.7983 3.7228 S SKP 8 ID FL1CHYNF0004 KNApSAcK_ID C00007021 NAME O-Methylpongamol CAS_RN 80158-88-9 FORMULA C19H16O4 EXACTMASS 308.104859 AVERAGEMASS 308.32794 SMILES c(c23)(occ3)ccc(c2OC)C(=O)C=C(OC)c(c1)cccc1 M END