Mol:FL3FAAGS0068
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
1.5403 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5403 -1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3982 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.1127 0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8271 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5416 0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5416 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8271 1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1127 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6837 -2.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.9842 1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3961 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.2265 -2.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2879 -1.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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51 52 2 0 0 0 0
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31 27 1 0 0 0 0
29 43 1 0 0 0 0
S SKP 8
ID FL3FAAGS0068
KNApSAcK_ID C00013618
NAME Apigenin 7-(3'',6''-Di-E-p-coumaroylgalactoside);7-[[3,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-galactopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 480990-58-7
FORMULA C39H32O14
EXACTMASS 724.179205732
AVERAGEMASS 724.6629800000001
SMILES Oc(c6)ccc(c6)C(=C5)Oc(c1)c(C5=O)c(cc(OC(C2O)OC(COC(C=Cc(c4)ccc(c4)O)=O)C(C2OC(=O)C=Cc(c3)ccc(O)c3)O)1)O
M END
