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Mol:FLIAACCS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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1 12 1 0 0 0 0<br />
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28 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 42 43<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SVB 2 46 -2.751 -1.4639<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 44<br />
M SMT 1 CH2OH<br />
M SVB 1 44 0.3649 1.4177<br />
S SKP 8<br />
ID FLIAACCS0005<br />
KNApSAcK_ID C00006245<br />
NAME Orobol 6,8-di-C-glucoside<br />
CAS_RN 118949-94-3<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES C(O)C([C@H](O)1)O[C@@H](c(c(O)3)c(c(c(O5)c(C(C(=C5)c(c4)ccc(O)c(O)4)=O)3)[C@H](O2)[C@H]([C@@H](O)[C@H](C2CO)O)O)O)[C@@H](O)[C@H]1O<br />
M END<br />
</pre></div>
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