Mol:FL7AACGL0003

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  49  50
M  SBL   1  1  54
M  SMT   1 ^CH2OH
M  SBV   1 54   -5.9790    3.9163
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  51  52
M  SBL   2  1  56
M  SMT   2 CH2OH
M  SBV   2 56   -5.4482    3.6332
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  53  54
M  SBL   3  1  58
M  SMT   3 ^CH2OH
M  SBV   3 58   -5.9790    3.9163
S  SKP  8
ID	FL7AACGL0003
KNApSAcK_ID	C00002377
NAME	Cyanidin 3,5,3'-triglucoside
CAS_RN	88110-66-1
FORMULA	C33H41O21
EXACTMASS	773.214033374
AVERAGEMASS	773.66604
SMILES	OC(C(O)1)C(OC(Oc(c4)c([o+1]c(c6)c4c(cc6O)OC(C(O)5)OC(CO)C(O)C5O)c(c2)ccc(c2OC(C(O)3)OC(CO)C(O)C(O)3)O)C1O)CO
M  END

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