Mol:FL7AACGL0006

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Copyright: ARM project http://www.metabolome.jp/
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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  SVB   2 46    2.6516   -0.0514
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  SVB   1 44   -0.2922   -2.3083
S  SKP  8
ID	FL7AACGL0006
KNApSAcK_ID	C00006658
NAME	Cyanidin 3-sophoroside
CAS_RN	38820-68-7,18376-31-3
FORMULA	C27H31O16
EXACTMASS	611.161209944
AVERAGEMASS	611.52544
SMILES	Oc(c(O)1)ccc(c(c(O[C@H](O4)C(O[C@H]([C@@H]5O)OC([C@H]([C@H]5O)O)CO)C([C@H]([C@H]4CO)O)O)3)[o+1]c(c2c3)cc(O)cc2O)c1
M  END

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