Mol:FL7AACGL0051

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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  54  55
M  SBL   1  1  59
M  SMT   1 CH2OH
M  SBV   1 59   -4.8549    3.4522
S  SKP  8
ID	FL7AACGL0051
KNApSAcK_ID	C00006822
NAME	Gentiocyanin A;Cyanidin 3-glucoside-5-(6-caffeoylglucoside)
CAS_RN	170663-59-9
FORMULA	C36H37O19
EXACTMASS	773.192904002
AVERAGEMASS	773.66758
SMILES	C(COC(C=Cc(c6)ccc(c(O)6)O)=O)(C(O)1)OC(Oc(c2)c(c4)c([o+1]c(c(OC(O5)C(C(O)C(C(CO)5)O)O)4)c(c3)ccc(O)c(O)3)cc2O)C(O)C(O)1
M  END

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