Mol:FL7ARXGL0006

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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  34  35
M  SBL   4  1  37
M  SMT   4  CH2OH
M  SVB   4 37    2.5197   -2.0279
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  45  46
M  SBL   3  1  50
M  SMT   3  OCH3
M  SVB   3 50   -0.2451   -3.3948
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29    2.6733    1.4902
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26    1.5275    3.4835
S  SKP  8
ID	FL7ARXGL0006
KNApSAcK_ID	C00011189
NAME	Malvidin 3-glucoside-4-vinylguaiacol
CAS_RN	388089-40-5
FORMULA	C32H31O14
EXACTMASS	639.1713807
AVERAGEMASS	639.58014
SMILES	O(c(c(c(c6)cc(OC)c(c(OC)6)O)5)c(C=2)c(c4[o+1]5)c(cc(c4)O)OC2c(c3)cc(OC)c(c3)O)[C@H](O1)C(O)C(O)[C@@H](O)[C@H]1CO
M  END

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