Mol:FL2FADNI0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0196 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0196 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6087 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6087 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5431 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5431 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3411 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3411 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7672 2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7672 2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 33 | + | M SBL 1 1 33 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 33 2.3411 1.4923 | + | M SVB 1 33 2.3411 1.4923 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FADNI0003 | + | ID FL2FADNI0003 |
− | KNApSAcK_ID C00008469 | + | KNApSAcK_ID C00008469 |
− | NAME Hiravanone;(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Hiravanone;(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 126199-36-8 | + | CAS_RN 126199-36-8 |
− | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
− | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
− | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
− | SMILES O(c(c3O)cc(cc3)C(O1)CC(c(c2O)c1c(c(O)c2CC=C(C)C)CC=C(C)C)=O)C | + | SMILES O(c(c3O)cc(cc3)C(O1)CC(c(c2O)c1c(c(O)c2CC=C(C)C)CC=C(C)C)=O)C |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.0639 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4987 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3411 1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 20 15 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 2.3411 1.4923 S SKP 8 ID FL2FADNI0003 KNApSAcK_ID C00008469 NAME Hiravanone;(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 126199-36-8 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES O(c(c3O)cc(cc3)C(O1)CC(c(c2O)c1c(c(O)c2CC=C(C)C)CC=C(C)C)=O)C M END