Mol:FLIAAACS0001

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  45
M  SMT   2  CH2OH
M  SVB   2 45   -2.3782   -1.4096
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  43
M  SMT   1  CH2OH
M  SVB   1 43    1.1982     2.316
S  SKP  8
ID	FLIAAACS0001
KNApSAcK_ID	C00002557
NAME	Paniculatin
CAS_RN	32361-88-9
FORMULA	C27H30O15
EXACTMASS	594.15847029
AVERAGEMASS	594.5181
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
M  END

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