Mol:FL3FAENF0001
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
− | 0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8566 -1.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 -1.2684 0.0000 H 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 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
− | 20 4 2 0 0 0 0 | + | 20 4 2 0 0 0 0 |
− | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
− | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
− | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
− | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 11 18 1 0 0 0 0 | + | 11 18 1 0 0 0 0 |
− | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 25 28 2 0 0 0 0 | + | 25 28 2 0 0 0 0 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 24 31 1 1 0 0 0 | + | 24 31 1 1 0 0 0 |
− | 23 32 1 1 0 0 0 | + | 23 32 1 1 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FAENF0001 | + | ID FL3FAENF0001 |
− | KNApSAcK_ID C00013454 | + | KNApSAcK_ID C00013454 |
− | NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione | + | NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione |
− | CAS_RN 144049-86-5 | + | CAS_RN 144049-86-5 |
− | FORMULA C22H16O8 | + | FORMULA C22H16O8 |
− | EXACTMASS 408.08451748799996 | + | EXACTMASS 408.08451748799996 |
− | AVERAGEMASS 408.35764000000006 | + | AVERAGEMASS 408.35764000000006 |
− | SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=O | + | SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=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/ 32 36 0 0 0 0 0 0 0 0999 V2000 0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -1.2684 0.0000 H 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 21 2 0 0 0 0 20 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 5 15 2 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 11 18 1 0 0 0 0 4 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 23 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 24 31 1 1 0 0 0 23 32 1 1 0 0 0 S SKP 8 ID FL3FAENF0001 KNApSAcK_ID C00013454 NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione CAS_RN 144049-86-5 FORMULA C22H16O8 EXACTMASS 408.08451748799996 AVERAGEMASS 408.35764000000006 SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=O M END