Mol:FL7AAIGL0017

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  44  45
M  SBL   4  1  48
M  SMT   4  CH2OH
M  SVB   4 48   -4.5029   -0.9086
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  51  52
M  SBL   3  1  55
M  SMT   3  OCH3
M  SVB   3 55    0.8214    0.8975
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  49  50
M  SBL   2  1  53
M  SMT   2  OCH3
M  SVB   2 53    0.3283    2.6619
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  46  48  47
M  SBL   1  1  50
M  SMT   1  COOH
M  SVB   1 50      4.67   -2.0279
S  SKP  8
ID	FL7AAIGL0017
KNApSAcK_ID	C00006908
NAME	Malonylmalvin
CAS_RN	121748-28-5
FORMULA	C32H37O20
EXACTMASS	741.187818624
AVERAGEMASS	741.62418
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
M  END

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