Mol:FL7AAGGL0004

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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  43  44
M  SBL   2  1  47
M  SMT   2  CH2OH
M  SVB   2 47    0.3076   -2.7882
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  45
M  SMT   1  CH2OH
M  SVB   1 45    3.1816   -0.8282
S  SKP  8
ID	FL7AAGGL0004
KNApSAcK_ID	C00006705
NAME	Delphinidin 3-sophoroside
CAS_RN	59212-40-7
FORMULA	C27H31O17
EXACTMASS	627.156124566
AVERAGEMASS	627.52484
SMILES	C([C@@H]1Oc(c3)c(c(c5)cc(O)c(c(O)5)O)[o+1]c(c4)c(c(cc4O)O)3)(O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)C([C@H]([C@H](O1)CO)O)O
M  END

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