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Mol:FL7ACDGL0001 - Revision history
2026-05-17T20:02:40Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 42 43<br />
M SBL 4 1 46<br />
M SMT 4 CH2OH<br />
M SVB 4 46 -3.2521 -0.7291<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 38 39<br />
M SBL 3 1 42<br />
M SMT 3 CH2OH<br />
M SVB 3 42 3.1888 -1.4781<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 44 45<br />
M SBL 2 1 48<br />
M SMT 2 OCH3<br />
M SVB 2 48 -2.387 1.0201<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 OCH3<br />
M SVB 1 44 1.6019 2.2806<br />
S SKP 8<br />
ID FL7ACDGL0001<br />
KNApSAcK_ID C00006693<br />
NAME Rosinin<br />
CAS_RN 20016-74-4<br />
FORMULA C29H35O16<br />
EXACTMASS 639.192510072<br />
AVERAGEMASS 639.5785999999999<br />
SMILES c(c5)(c2c(cc5OC)O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@H](O)4)[o+1]c(c(O[C@@H](C(O)3)O[C@@H]([C@H](O)C3O)CO)c2)c(c1)cc(OC)c(O)c1<br />
M END<br />
</pre></div>
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