Mol:FL5FAAGS0111
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
− | 1.1286 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1286 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8431 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5575 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.3004 0.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 0.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1582 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1582 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0204 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0204 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -1.7293 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9075 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9075 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1936 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1936 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2422 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2422 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.9629 -3.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9629 -3.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6235 -3.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6235 -3.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0753 -4.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0753 -4.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.0874 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0874 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2312 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2312 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7689 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9473 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9473 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8034 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8034 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7998 0.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7998 0.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6884 -1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6884 -1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3448 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3448 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0895 -0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0895 -0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3395 -1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3395 -1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9219 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9219 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4698 -2.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4698 -2.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3782 -2.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3782 -2.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
− | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
− | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 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 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
− | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 33 43 1 0 0 0 0 | + | 33 43 1 0 0 0 0 |
− | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
− | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
− | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
− | 42 22 1 0 0 0 0 | + | 42 22 1 0 0 0 0 |
− | 36 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGS0111 | + | ID FL5FAAGS0111 |
− | KNApSAcK_ID C00013778 | + | KNApSAcK_ID C00013778 |
− | NAME Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 557765-92-1 | + | CAS_RN 557765-92-1 |
− | FORMULA C32H28O14 | + | FORMULA C32H28O14 |
− | EXACTMASS 636.147905604 | + | EXACTMASS 636.147905604 |
− | AVERAGEMASS 636.55632 | + | AVERAGEMASS 636.55632 |
− | SMILES C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O | + | SMILES C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 1.1286 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 4.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0148 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 0.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 4.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9075 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 0.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2422 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 -2.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 -2.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2653 -3.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 -4.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 -3.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6235 -3.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 -4.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0874 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 0.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6884 -1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 -0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3395 -1.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4698 -2.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -2.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 35 39 1 0 0 0 0 34 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 33 43 1 0 0 0 0 40 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 42 22 1 0 0 0 0 36 19 1 0 0 0 0 S SKP 8 ID FL5FAAGS0111 KNApSAcK_ID C00013778 NAME Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 557765-92-1 FORMULA C32H28O14 EXACTMASS 636.147905604 AVERAGEMASS 636.55632 SMILES C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O M END