Mol:FLIAABGS0003

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  44
M  SMT   2  CH2OH
M  SVB   2 44   -4.2096    1.9696
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  42  43
M  SBL   1  1  46
M  SMT   1  OCH3
M  SVB   1 46     4.597   -1.5571
S  SKP  8
ID	FLIAABGS0003
KNApSAcK_ID	C00010114
NAME	Biochanin A 7-O-gentiobioside
CAS_RN	63770-90-1
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	O(C)c(c1)ccc(C(=C2)C(c(c3O)c(cc(O[C@H](O4)[C@@H](O)[C@@H](O)[C@@H](O)C4CO[C@@H]([C@@H](O)5)OC([C@H](O)[C@@H]5O)CO)c3)O2)=O)c1
M  END

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