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Mol:FL7AACGL0036 - 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 55 56<br />
M SBL 3 1 60<br />
M SMT 3 CH2OH<br />
M SVB 3 60 3.6899 -2.4043<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 57 58<br />
M SBL 2 1 62<br />
M SMT 2 OCH3<br />
M SVB 2 62 1.4831 2.5735<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 53 54<br />
M SBL 1 1 58<br />
M SMT 1 OCH3<br />
M SVB 1 58 3.3381 2.2376<br />
S SKP 8<br />
ID FL7AACGL0036<br />
KNApSAcK_ID C00006806<br />
NAME Alatanin 1<br />
CAS_RN 131189-50-9<br />
FORMULA C38H41O20<br />
EXACTMASS 817.219118752<br />
AVERAGEMASS 817.72014<br />
SMILES c(c6)c(cc(O)c6O)c([o+1]5)c(cc(c54)c(O)cc(O)c4)O[C@@H](C3O)O[C@@H]([C@@H](C(O)3)OC(=O)C=Cc(c2)cc(c(c(OC)2)O)OC)CO[C@H](O1)C(O)C([C@@H](O)[C@@H](CO)1)O<br />
M END<br />
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