Mol:FL5FACGS0109
From Metabolomics.JP
(Difference between revisions)
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| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
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| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
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| − | 57 62 1 0 0 0 0 | + | 57 62 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0109 | + | ID FL5FACGS0109 |
| − | KNApSAcK_ID C00013881 | + | KNApSAcK_ID C00013881 |
| − | NAME Quercetin 3-(2''-caffeoylglucoside)-(1->2)-(6''-malonylglucoside);3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one | + | NAME Quercetin 3-(2''-caffeoylglucoside)-(1->2)-(6''-malonylglucoside);3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 219745-03-6 | + | CAS_RN 219745-03-6 |
| − | FORMULA C39H38O23 | + | FORMULA C39H38O23 |
| − | EXACTMASS 874.180387522 | + | EXACTMASS 874.180387522 |
| − | AVERAGEMASS 874.70522 | + | AVERAGEMASS 874.70522 |
| − | SMILES c(c1O)c(O)c(C(=O)2)c(OC(c(c6)cc(c(O)c6)O)=C2OC(O5)C(C(O)C(O)C(COC(=O)CC(O)=O)5)OC(O4)C(C(C(C4CO)O)O)OC(=O)C=Cc(c3)cc(O)c(O)c3)c1 | + | SMILES c(c1O)c(O)c(C(=O)2)c(OC(c(c6)cc(c(O)c6)O)=C2OC(O5)C(C(O)C(O)C(COC(=O)CC(O)=O)5)OC(O4)C(C(C(C4CO)O)O)OC(=O)C=Cc(c3)cc(O)c(O)c3)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
62 67 0 0 0 0 0 0 0 0999 V2000
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43 42 1 1 0 0 0
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45 46 1 0 0 0 0
46 47 1 0 0 0 0
40 48 1 0 0 0 0
41 49 1 0 0 0 0
42 50 1 0 0 0 0
43 32 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
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57 58 2 0 0 0 0
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59 60 2 0 0 0 0
60 55 1 0 0 0 0
58 61 1 0 0 0 0
57 62 1 0 0 0 0
50 51 1 0 0 0 0
S SKP 8
ID FL5FACGS0109
KNApSAcK_ID C00013881
NAME Quercetin 3-(2''-caffeoylglucoside)-(1->2)-(6''-malonylglucoside);3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 219745-03-6
FORMULA C39H38O23
EXACTMASS 874.180387522
AVERAGEMASS 874.70522
SMILES c(c1O)c(O)c(C(=O)2)c(OC(c(c6)cc(c(O)c6)O)=C2OC(O5)C(C(O)C(O)C(COC(=O)CC(O)=O)5)OC(O4)C(C(C(C4CO)O)O)OC(=O)C=Cc(c3)cc(O)c(O)c3)c1
M END
