Mol:FL5FAAGL0063
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 |
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− | -3.2748 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2748 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2748 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2748 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8311 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8311 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7185 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7185 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1622 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1622 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -1.6061 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6061 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0391 1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4722 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4722 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4722 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4722 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0391 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6061 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6061 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5141 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5141 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4687 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4687 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8563 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8563 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1109 -0.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1109 -0.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6391 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6391 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0268 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0268 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2813 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2813 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1958 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1958 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5502 0.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5502 0.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5131 0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5131 0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0946 2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0946 2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8311 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8311 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9983 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9983 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2681 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2681 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6136 -0.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6136 -0.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6136 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6136 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1133 -1.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1133 -1.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2459 -2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2459 -2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8771 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8771 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8771 -1.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8771 -1.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0492 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0492 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5849 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5849 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2922 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2922 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9983 -2.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9983 -2.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
− | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
− | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
− | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 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 |
− | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
− | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 40 42 2 0 0 0 0 | + | 40 42 2 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGL0063 | + | ID FL5FAAGL0063 |
− | KNApSAcK_ID C00005845 | + | KNApSAcK_ID C00005845 |
− | NAME Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 157407-84-6 | + | CAS_RN 157407-84-6 |
− | FORMULA C27H28O15 | + | FORMULA C27H28O15 |
− | EXACTMASS 592.1428202259999 | + | EXACTMASS 592.1428202259999 |
− | AVERAGEMASS 592.5022200000001 | + | AVERAGEMASS 592.5022200000001 |
− | SMILES OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(C)O | + | SMILES OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(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/ 42 45 0 0 0 0 0 0 0 0999 V2000 -4.3874 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2748 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 -0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5141 -0.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 -0.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6391 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2813 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 0.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5131 0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0946 2.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 1.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -0.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6136 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1133 -1.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 -2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 -1.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 -2.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -0.8666 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 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 36 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 S SKP 8 ID FL5FAAGL0063 KNApSAcK_ID C00005845 NAME Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 157407-84-6 FORMULA C27H28O15 EXACTMASS 592.1428202259999 AVERAGEMASS 592.5022200000001 SMILES OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(C)O M END