Mol:FL5FACGA0033
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
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Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
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5.1635 -0.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
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4 5 2 0 0 0 0
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6 1 2 0 0 0 0
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7 8 1 0 0 0 0
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10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
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15 16 1 0 0 0 0
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19 20 1 0 0 0 0
20 21 1 1 0 0 0
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41 42 1 0 0 0 0
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40 44 1 0 0 0 0
41 45 1 0 0 0 0
S SKP 8
ID FL5FACGA0033
KNApSAcK_ID C00005952
NAME Quercetin 3-(6''-caffeylgalactoside)
CAS_RN 84575-22-4
FORMULA C30H26O15
EXACTMASS 626.127170162
AVERAGEMASS 626.51844
SMILES O(C4COC(=O)C=Cc(c5)ccc(O)c5O)C(C(C(C(O)4)O)O)OC(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)ccc(c(O)1)O
M END
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