Mol:FL7AACGL0013

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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  40  41
M  SBL   1  1  44
M  SMT   1 CH2OH
M  SBV   1 44   -6.7254    3.9857
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  46
M  SMT   2 CH2OH
M  SBV   2 46   -6.9624    4.5304
S  SKP  8
ID	FL7AACGL0013
KNApSAcK_ID	C00006668
NAME	Cyanidin 3,3'-diglucoside
CAS_RN	64963-54-8
FORMULA	C27H31O16
EXACTMASS	611.161209944
AVERAGEMASS	611.52544
SMILES	OC(C1O)C(Oc(c(O)5)cc(cc5)c([o+1]2)c(OC(O4)C(C(O)C(C4CO)O)O)cc(c3O)c2cc(O)c3)OC(CO)C(O)1
M  END

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