Mol:FL3FA9GS0008
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
− | 0.3606 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3606 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3606 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3606 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9169 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9169 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4732 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4732 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4732 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4732 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9169 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9169 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0295 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0295 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0295 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0295 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0295 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0295 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1419 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1419 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7089 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7089 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2759 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2759 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2759 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2759 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7089 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7089 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1419 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1419 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1955 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1955 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9169 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9169 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6668 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6668 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2542 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2542 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4558 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4558 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6624 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6624 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0749 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0749 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8733 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8733 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1702 -0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 -0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8574 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8574 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2192 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2192 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2192 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2192 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3603 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3603 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8770 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8770 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8770 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8770 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2759 0.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2759 0.3783 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 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 20 30 1 0 0 0 0 | + | 20 30 1 0 0 0 0 |
− | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FA9GS0008 | + | ID FL3FA9GS0008 |
− | KNApSAcK_ID C00013598 | + | KNApSAcK_ID C00013598 |
− | NAME Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one | + | NAME Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one |
− | CAS_RN 674299-89-9 | + | CAS_RN 674299-89-9 |
− | FORMULA C23H22O10 | + | FORMULA C23H22O10 |
− | EXACTMASS 458.121296924 | + | EXACTMASS 458.121296924 |
− | AVERAGEMASS 458.41478000000006 | + | AVERAGEMASS 458.41478000000006 |
− | SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(O3)C(C(O)C(C3CO)OC(C)=O)O)2)=O)c(c1)cccc1 | + | SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(O3)C(C(O)C(C3CO)OC(C)=O)O)2)=O)c(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 0.3606 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7089 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1955 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4558 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 -0.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2192 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2192 1.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 0.3783 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 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 22 26 1 0 0 0 0 21 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 20 30 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 23 18 1 0 0 0 0 S SKP 8 ID FL3FA9GS0008 KNApSAcK_ID C00013598 NAME Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 674299-89-9 FORMULA C23H22O10 EXACTMASS 458.121296924 AVERAGEMASS 458.41478000000006 SMILES C(O2)(=CC(c(c4O)c(cc(c4)OC(O3)C(C(O)C(C3CO)OC(C)=O)O)2)=O)c(c1)cccc1 M END