Mol:FL7AACGL0008

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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  42  43
M  SBL   1  1  46
M  SMT   1  CH2OH
M  SVB   1 46    4.0696   -1.7113
S  SKP  8
ID	FL7AACGL0008
KNApSAcK_ID	C00006660
NAME	Cyanidin 3-gentiobioside
CAS_RN	4453-78-5
FORMULA	C27H31O16
EXACTMASS	611.161209944
AVERAGEMASS	611.52544
SMILES	Oc(c(O)1)ccc(c([o+1]2)c(O[C@H](O4)C(O)C(O)[C@@H](O)[C@@H](CO[C@@H](C5O)O[C@@H]([C@@H](C(O)5)O)CO)4)cc(c3O)c2cc(O)c3)c1
M  END

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