Mol:FL3FACGS0067
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 45 0 0 0 0 0 0 0 0999 V2000 | + | 42 45 0 0 0 0 0 0 0 0999 V2000 |
− | 1.0702 -0.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0702 -0.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0702 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0702 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5213 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5213 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9723 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9723 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9723 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9723 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5213 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5213 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4234 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4234 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8745 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8745 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8745 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8745 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4234 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4234 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5951 -1.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5951 -1.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3254 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3254 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7851 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7851 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2448 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2448 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2448 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2448 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7851 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7851 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3254 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3254 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5213 -1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5213 -1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6089 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6089 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7044 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7044 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7851 1.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7851 1.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0194 -0.2269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.0194 -0.2269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -1.5037 -0.9075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5037 -0.9075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.7612 -0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.7612 -0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.0448 -0.6111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.0448 -0.6111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.5654 -0.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5654 -0.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2150 -0.4332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.2150 -0.4332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -1.4831 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4831 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7332 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7332 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3075 -0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3075 -0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3358 -1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3358 -1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4831 0.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4831 0.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0530 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0530 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0530 1.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0530 1.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5383 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5383 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0539 1.1756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0539 1.1756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.6041 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6041 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4702 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4702 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4702 2.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4702 2.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0539 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0539 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1952 1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1952 1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.3362 0.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3362 0.8578 0.0000 O 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 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 32 28 1 0 0 0 0 | + | 32 28 1 0 0 0 0 |
− | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
− | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
− | 38 42 2 0 0 0 0 | + | 38 42 2 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 3 38 42 39 | + | M SAL 1 3 38 42 39 |
− | M SBL 1 1 41 | + | M SBL 1 1 41 |
− | M SMT 1 COOH | + | M SMT 1 COOH |
− | M SVB 1 41 -4.1543 1.1755 | + | M SVB 1 41 -4.1543 1.1755 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FACGS0067 | + | ID FL3FACGS0067 |
− | KNApSAcK_ID C00004504 | + | KNApSAcK_ID C00004504 |
− | NAME Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one | + | NAME Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one |
− | CAS_RN 151750-81-1 | + | CAS_RN 151750-81-1 |
− | FORMULA C27H28O15 | + | FORMULA C27H28O15 |
− | EXACTMASS 592.1428202259999 | + | EXACTMASS 592.1428202259999 |
− | AVERAGEMASS 592.5022200000001 | + | AVERAGEMASS 592.5022200000001 |
− | SMILES c(c3)(c(c(O)cc3O[C@@H]([C@@H](O)4)OC([C@H](O)[C@H](O)4)COC(=O)CC(CC(O)=O)(C)O)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O | + | SMILES c(c3)(c(c(O)cc3O[C@@H]([C@@H](O)4)OC([C@H](O)[C@H](O)4)COC(=O)CC(CC(O)=O)(C)O)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)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/ 42 45 0 0 0 0 0 0 0 0999 V2000 1.0702 -0.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4234 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4234 -0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 -1.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3254 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5213 -1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 1.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 -0.2269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5037 -0.9075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7612 -0.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0448 -0.6111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5654 -0.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.4332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4831 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 -0.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 -1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4831 0.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 1.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 1.1756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6041 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 2.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 0.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1952 1.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3362 0.8578 0.0000 O 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 3 18 1 0 0 0 0 19 1 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 32 28 1 0 0 0 0 25 19 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 38 42 2 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 38 42 39 M SBL 1 1 41 M SMT 1 COOH M SVB 1 41 -4.1543 1.1755 S SKP 8 ID FL3FACGS0067 KNApSAcK_ID C00004504 NAME Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one CAS_RN 151750-81-1 FORMULA C27H28O15 EXACTMASS 592.1428202259999 AVERAGEMASS 592.5022200000001 SMILES c(c3)(c(c(O)cc3O[C@@H]([C@@H](O)4)OC([C@H](O)[C@H](O)4)COC(=O)CC(CC(O)=O)(C)O)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O M END