Mol:FL7AACGA0004

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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   -6.1757    5.8372
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   -5.6400    5.4438
S  SKP  8
ID	FL7AACGA0004
KNApSAcK_ID	C00006664
NAME	Cyanidin 3-galactoside-5-glucoside
CAS_RN	28454-88-8
FORMULA	C27H31O16
EXACTMASS	611.161209944
AVERAGEMASS	611.52544
SMILES	Oc(c(O)1)ccc(c(c4OC(O5)C(C(O)C(C5CO)O)O)[o+1]c(c3)c(c4)c(cc3O)OC(O2)C(C(C(O)C2CO)O)O)c1
M  END

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