Mol:FL7AAAGL0023

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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  44  45
M  SBL   1  1  48
M  SMT   1  CH2OH
M  SVB   1 48    3.4199   -0.9622
S  SKP  8
ID	FL7AAAGL0023
KNApSAcK_ID	C00006762
NAME	Pelargonidin 3-glucoside-5-(6''-acetylglucoside)
CAS_RN	170660-30-7
FORMULA	C29H33O16
EXACTMASS	637.176860008
AVERAGEMASS	637.56272
SMILES	O[C@H]([C@H](O)5)C(O[C@H]([C@@H](O)5)Oc(c12)cc(cc([o+1]c(c(c4)ccc(O)c4)c(O[C@@H](C3O)O[C@@H]([C@@H](C3O)O)CO)c2)1)O)COC(C)=O
M  END

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