Mol:FL5FECNS0033
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
− | -3.2502 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2502 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6176 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6176 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3979 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3979 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8108 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8108 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4434 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4434 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6631 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6631 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5911 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5911 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0040 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0040 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6366 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6366 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8563 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8563 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0978 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0978 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0494 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0494 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8254 2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8254 2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2463 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2463 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8910 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8910 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.1149 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1149 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6941 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6941 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7844 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7844 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7656 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7656 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7090 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7090 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7975 -1.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7975 -1.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5636 -2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5636 -2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7315 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7315 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.6918 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.6918 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0647 3.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0647 3.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.2383 4.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2383 4.4490 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 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 |
− | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | M STY 1 4 SUP | + | M STY 1 4 SUP |
− | M SLB 1 4 4 | + | M SLB 1 4 4 |
− | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
− | M SBL 4 1 28 | + | M SBL 4 1 28 |
− | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
− | M SVB 4 28 2.241 1.1662 | + | M SVB 4 28 2.241 1.1662 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
− | M SBL 3 1 26 | + | M SBL 3 1 26 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 26 1.3907 1.7424 | + | M SVB 3 26 1.3907 1.7424 |
− | 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 SVB 2 24 -2.5983 0.482 | + | M SVB 2 24 -2.5983 0.482 |
− | 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 SVB 1 22 -2.9555 -0.6877 | + | M SVB 1 22 -2.9555 -0.6877 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FECNS0033 | + | ID FL5FECNS0033 |
− | KNApSAcK_ID C00004709 | + | KNApSAcK_ID C00004709 |
− | NAME Quercetagetin 6,7,3'4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME Quercetagetin 6,7,3'4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one |
− | CAS_RN 57296-14-7 | + | CAS_RN 57296-14-7 |
− | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
− | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
− | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
− | SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)cc(OC)c(OC)c3)O)=O)c(c1OC)O | + | SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)cc(OC)c(OC)c3)O)=O)c(c1OC)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -3.2502 -1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4434 -0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5911 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8563 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 0.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0494 1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1149 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6941 1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 1.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7975 -1.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5636 -2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7315 2.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6918 2.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 3.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2383 4.4490 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 2.241 1.1662 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 1.3907 1.7424 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 SVB 2 24 -2.5983 0.482 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 SVB 1 22 -2.9555 -0.6877 S SKP 8 ID FL5FECNS0033 KNApSAcK_ID C00004709 NAME Quercetagetin 6,7,3'4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 57296-14-7 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)cc(OC)c(OC)c3)O)=O)c(c1OC)O M END