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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SVB 2 45 -2.3782 -1.4096<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 43<br />
M SMT 1 CH2OH<br />
M SVB 1 43 1.1982 2.316<br />
S SKP 8<br />
ID FLIAAACS0001<br />
KNApSAcK_ID C00002557<br />
NAME Paniculatin<br />
CAS_RN 32361-88-9<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES C(c24)(C(=COc2c(c(c([C@H](O5)[C@@H](O)[C@H]([C@H](C(CO)5)O)O)c4O)O)[C@@H](O3)[C@@H]([C@H](O)[C@@H](C3CO)O)O)c(c1)ccc(c1)O)=O<br />
M END<br />
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