Mol:FL3FAACS0083
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
3.1600 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4456 0.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.9614 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3903 0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6759 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8329 1.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2499 0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL3FAACS0083
KNApSAcK_ID C00014084
NAME 2''-O-Galloylisovitexin
CAS_RN 267883-58-9
FORMULA C28H24O14
EXACTMASS 584.116605476
AVERAGEMASS 584.48176
SMILES O=C(C=4)c(c(OC(c(c5)ccc(c5)O)4)3)c(c(c(O)c3)C(O1)C(C(O)C(C1COC(c(c2)cc(O)c(c(O)2)O)=O)O)O)O
M END
