Mol:FL3FAADS0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
4.1085 0.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3940 1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.2506 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9651 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.9098 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6243 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3388 1.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3388 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6243 2.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9098 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5156 -0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8832 -2.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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32 63 1 0 0 0 0
S SKP 8
ID FL3FAADS0047
KNApSAcK_ID C00014083
NAME Isovitexin 2''-O-(6'''-(E)-feruloyl)glucoside 4'-O-glucoside
CAS_RN 372113-57-0
FORMULA C43H48O23
EXACTMASS 932.258637842
AVERAGEMASS 932.8274200000001
SMILES C(OC(C(c(c7O)c(c(C6=O)c(c7)OC(=C6)c(c5)ccc(c5)OC(O4)C(O)C(O)C(C4CO)O)O)3)C(C(O)C(O3)CO)O)(O1)C(O)C(O)C(O)C1COC(=O)C=Cc(c2)cc(c(O)c2)OC
M END
