Mol:FLIAAANI0013
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
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− | -2.7140 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7140 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.0495 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0495 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.7156 0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7156 0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6621 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6621 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3264 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3264 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9907 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9907 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9907 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9907 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
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− | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
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− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
− | 7 22 2 0 0 0 0 | + | 7 22 2 0 0 0 0 |
− | 1 23 1 0 0 0 0 | + | 1 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 |
− | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
− | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAAANI0013 | + | ID FLIAAANI0013 |
− | KNApSAcK_ID C00011152 | + | KNApSAcK_ID C00011152 |
− | NAME 7-O-Methylisolupalbigenin | + | NAME 7-O-Methylisolupalbigenin |
− | CAS_RN 405297-97-4 | + | CAS_RN 405297-97-4 |
− | FORMULA C26H28O5 | + | FORMULA C26H28O5 |
− | EXACTMASS 420.193674006 | + | EXACTMASS 420.193674006 |
− | AVERAGEMASS 420.49752 | + | AVERAGEMASS 420.49752 |
− | SMILES c(C(C(=O)3)=COc(c32)c(CC=C(C)C)c(cc2O)OC)(c1)ccc(c1CC=C(C)C)O | + | SMILES c(C(C(=O)3)=COc(c32)c(CC=C(C)C)c(cc2O)OC)(c1)ccc(c1CC=C(C)C)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/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.0479 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 -1.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 -1.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 -1.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1647 2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1961 2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 -1.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 -1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2734 0.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8794 0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 -0.0221 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 2 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 3 1 0 0 0 0 8 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 4 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 7 22 2 0 0 0 0 1 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIAAANI0013 KNApSAcK_ID C00011152 NAME 7-O-Methylisolupalbigenin CAS_RN 405297-97-4 FORMULA C26H28O5 EXACTMASS 420.193674006 AVERAGEMASS 420.49752 SMILES c(C(C(=O)3)=COc(c32)c(CC=C(C)C)c(cc2O)OC)(c1)ccc(c1CC=C(C)C)O M END