Mol:FL1DCAGS0001

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  29  30
M  SBL   2  1  31
M  SMT   2  CH2OH
M  SVB   2 31   -2.4284   -0.0148
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33   -1.0492    1.3934
S  SKP  8
ID	FL1DCAGS0001
KNApSAcK_ID	C00007992
NAME	Asebotin
CAS_RN	11075-15-3
FORMULA	C22H26O10
EXACTMASS	450.152597052
AVERAGEMASS	450.43584
SMILES	O[C@@H]([C@H]3O)[C@@H](OC(CO)[C@@H]3O)Oc(c1)c(C(=O)CCc(c2)ccc(O)c2)c(cc1OC)O
M  END

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