Mol:FL5FELNS0005
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 |
− | -2.8240 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8240 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5028 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5028 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8240 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8240 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4664 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4664 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7876 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7876 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4664 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4664 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7875 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7875 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4299 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4299 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7511 -0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7511 -0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4299 -1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4299 -1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5371 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5371 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3932 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3932 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7205 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7205 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.3752 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3752 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.7025 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.7025 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.3752 -1.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.3752 -1.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.7205 -1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7205 -1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5029 -2.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5029 -2.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5029 0.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5029 0.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3933 -1.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3933 -1.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -6.7024 0.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.7024 0.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0143 -1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0143 -1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9299 0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9299 0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.4299 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4299 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -7.3570 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.3570 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -7.7696 0.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.7696 0.2177 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 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 8 24 1 0 0 0 0 | + | 8 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 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
− | M SBL 3 1 28 | + | M SBL 3 1 28 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 28 2.241 1.4543 | + | M SVB 3 28 2.241 1.4543 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
− | M SBL 2 1 26 | + | M SBL 2 1 26 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 26 0.183 -0.6973 | + | M SVB 2 26 0.183 -0.6973 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
− | M SBL 1 1 24 | + | M SBL 1 1 24 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 24 -2.9555 -0.3996 | + | M SVB 1 24 -2.9555 -0.3996 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FELNS0005 | + | ID FL5FELNS0005 |
− | KNApSAcK_ID C00004808 | + | KNApSAcK_ID C00004808 |
− | NAME 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone | + | NAME 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone |
− | CAS_RN 99816-56-5 | + | CAS_RN 99816-56-5 |
− | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
− | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
− | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
− | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c(O)2)cc(O)c(OC)c2)OC)=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c(O)2)cc(O)c(OC)c2)OC)=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/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.8240 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7876 -1.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 0.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 -0.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -1.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3752 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7025 -0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3752 -1.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 -2.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 0.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3933 -1.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7024 0.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9299 0.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 1.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 -0.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7696 0.2177 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 17 20 1 0 0 0 0 14 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 8 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 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 2.241 1.4543 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 0.183 -0.6973 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.9555 -0.3996 S SKP 8 ID FL5FELNS0005 KNApSAcK_ID C00004808 NAME 5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone CAS_RN 99816-56-5 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c(O)2)cc(O)c(OC)c2)OC)=O M END