Mol:FL5FAAGS0106
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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− | -1.3182 -3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3182 -3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
− | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
− | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
− | 38 43 1 0 0 0 0 | + | 38 43 1 0 0 0 0 |
− | 24 44 1 0 0 0 0 | + | 24 44 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGS0106 | + | ID FL5FAAGS0106 |
− | KNApSAcK_ID C00013773 | + | KNApSAcK_ID C00013773 |
− | NAME Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 190328-43-9 | + | CAS_RN 190328-43-9 |
− | FORMULA C30H26O14 | + | FORMULA C30H26O14 |
− | EXACTMASS 610.13225554 | + | EXACTMASS 610.13225554 |
− | AVERAGEMASS 610.51904 | + | AVERAGEMASS 610.51904 |
− | SMILES C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)(C(O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2O)C(O)C(O)1 | + | SMILES C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)(C(O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2O)C(O)C(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 1.2666 4.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9811 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 4.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9811 4.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 3.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8768 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8768 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 0.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0202 3.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1585 1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2963 4.3758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 -0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 -0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 0.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2018 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 0.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 0.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 -1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 -2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 -2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 -3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 -3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 -4.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 -3.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 -0.5002 0.0000 O 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 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 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 25 19 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 38 43 1 0 0 0 0 24 44 1 0 0 0 0 S SKP 8 ID FL5FAAGS0106 KNApSAcK_ID C00013773 NAME Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 190328-43-9 FORMULA C30H26O14 EXACTMASS 610.13225554 AVERAGEMASS 610.51904 SMILES C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)(C(O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2O)C(O)C(O)1 M END