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Mol:FL7AAIGL0017 - Revision history
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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 44 45<br />
M SBL 4 1 48<br />
M SMT 4 CH2OH<br />
M SVB 4 48 -4.5029 -0.9086<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 51 52<br />
M SBL 3 1 55<br />
M SMT 3 OCH3<br />
M SVB 3 55 0.8214 0.8975<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 49 50<br />
M SBL 2 1 53<br />
M SMT 2 OCH3<br />
M SVB 2 53 0.3283 2.6619<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 46 48 47<br />
M SBL 1 1 50<br />
M SMT 1 COOH<br />
M SVB 1 50 4.67 -2.0279<br />
S SKP 8<br />
ID FL7AAIGL0017<br />
KNApSAcK_ID C00006908<br />
NAME Malonylmalvin<br />
CAS_RN 121748-28-5<br />
FORMULA C32H37O20<br />
EXACTMASS 741.187818624<br />
AVERAGEMASS 741.62418<br />
SMILES [C@H]([C@@H](O)1)(Oc(c42)cc(cc2[o+1]c(c(c5)cc(OC)c(O)c(OC)5)c(c4)O[C@@H](C(O)3)O[C@H](COC(=O)CC(O)=O)[C@H](O)C3O)O)OC(CO)[C@H](O)[C@@H]1O<br />
M END<br />
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