Mol:FL7AAAGL0024

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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  47  48
M  SBL   1  1  51
M  SMT   1 ^CH2OH
M  SBV   1 51   -8.1912    6.5809
S  SKP  8
ID	FL7AAAGL0024
KNApSAcK_ID	C00006763
NAME	Pelargonidin 3-(6''-malonylglucoside)-5-glucoside
CAS_RN	98064-03-0
FORMULA	C30H33O18
EXACTMASS	681.166689252
AVERAGEMASS	681.57222
SMILES	c(c3)(OC(C5O)OC(COC(CC(O)=O)=O)C(C5O)O)c(c(c4)ccc(O)c4)[o+1]c(c31)cc(O)cc1OC(O2)C(C(O)C(O)C2CO)O
M  END

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