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Mol:FLIAABGS0003 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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16 42 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 44<br />
M SMT 2 CH2OH<br />
M SVB 2 44 -4.2096 1.9696<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 42 43<br />
M SBL 1 1 46<br />
M SMT 1 OCH3<br />
M SVB 1 46 4.597 -1.5571<br />
S SKP 8<br />
ID FLIAABGS0003<br />
KNApSAcK_ID C00010114<br />
NAME Biochanin A 7-O-gentiobioside<br />
CAS_RN 63770-90-1<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
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<br />
M END<br />
</pre></div>
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