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Mol:FL5FADGL0032 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 66 67<br />
M SBL 3 1 72<br />
M SMT 3 CH2OH<br />
M SVB 3 72 -4.1452 2.224<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 62 63<br />
M SBL 2 1 68<br />
M SMT 2 CH2OH<br />
M SVB 2 68 1.1005 -1.241<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 64 65<br />
M SBL 1 1 70<br />
M SMT 1 OCH3<br />
M SVB 1 70 2.2971 3.2436<br />
S SKP 8<br />
ID FL5FADGL0032<br />
KNApSAcK_ID C00005589<br />
NAME Isorhamnetin 3-gentiotrioside-7-glucoside<br />
CAS_RN 84534-27-0<br />
FORMULA C40H52O27<br />
EXACTMASS 964.269596458<br />
AVERAGEMASS 964.82468<br />
SMILES C(C1O)(O)[C@@H](O)[C@@H](CO[C@@H]([C@@H](O)6)OC(CO[C@H](O7)[C@H]([C@H]([C@@H](O)C(CO)7)O)O)[C@H](O)[C@@H]6O)O[C@H]1OC(=C(c(c5)ccc(c(OC)5)O)4)C(c(c3O4)c(cc(c3)O[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)CO)O)=O<br />
M END<br />
</pre></div>
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