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Mol:FL5FCAGL0011 - Revision history
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M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 62 63<br />
M SBL 3 1 68<br />
M SMT 3 CH2OH<br />
M SVB 3 68 1.1681 -4.18<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 58 59<br />
M SBL 2 1 64<br />
M SMT 2 CH2OH<br />
M SVB 2 64 -0.6303 0.3999<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 60 61<br />
M SBL 1 1 66<br />
M SMT 1 OCH3<br />
M SVB 1 66 -4.613 -2.7258<br />
S SKP 8<br />
ID FL5FCAGL0011<br />
KNApSAcK_ID C00005931<br />
NAME Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside)<br />
CAS_RN 142449-94-3<br />
FORMULA C43H52O20<br />
EXACTMASS 888.305194104<br />
AVERAGEMASS 888.8609799999999<br />
SMILES [C@H]([C@H](CO)1)(C(OC(C=C(C)C=C[C@]([C@]7(C)6)(O)[C@@](CO7)(C[C@H](O)C6)C)=O)C([C@@H](Oc(c5)ccc(c5)C(O3)=C(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4CO)C(c(c23)c(cc(c2)OC)O)=O)O1)O)O<br />
M END<br />
</pre></div>
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