Mol:FL5FACGS0109
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
62 67 0 0 0 0 0 0 0 0999 V2000
0.3086 2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4058 2.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4058 3.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3086 3.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1203 2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5493 2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5493 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1203 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2637 2.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9782 2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9782 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2637 0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6927 2.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2637 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1443 -1.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.2222 -0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2222 0.0332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5087 -0.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0013 -4.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.8786 -3.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.6951 -2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8701 -2.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9357 -3.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1197 -4.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
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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
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14 18 1 0 0 0 0
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12 19 1 0 0 0 0
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4 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
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27 28 1 0 0 0 0
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34 36 1 0 0 0 0
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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
