Mol:FL5FACGS0117
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
5.5676 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8531 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8531 2.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5676 2.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2820 2.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2820 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1386 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7097 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7097 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1386 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9952 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9952 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 -0.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5663 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.9952 -0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8739 2.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.5009 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1614 -2.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8131 -1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9714 -1.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3196 -1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9448 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2467 -2.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.9072 -2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3251 -3.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9856 -3.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6374 -3.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4561 -3.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7956 -2.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1438 -3.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7691 -2.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2190 -2.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0710 -4.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0524 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4605 1.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4159 2.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1642 3.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5761 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4000 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8125 3.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6375 3.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0500 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6375 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8125 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8739 2.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2161 3.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL5FACGS0117
KNApSAcK_ID C00013889
NAME Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 247576-99-4
FORMULA C42H46O25
EXACTMASS 950.2328170220001
AVERAGEMASS 950.79964
SMILES Oc(c1)c(O)ccc1C(O4)=C(C(=O)c(c(O)5)c(cc(OC(O6)C(C(O)C(O)C(COC(=O)C=Cc(c7)cc(O)c(O)c7)6)O)c5)4)OC(O3)C(C(C(C(CO)3)O)O)OC(C2O)OC(C(C2O)O)CO
M END
