Mol:FL7AAAGL0001

Revision as of 09:00, 7 October 2008

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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  41  42
M  SBL   2  1  45
M  SMT   2  CH2OH
M  SVB   2 45   -3.2615    -0.054
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  31
M  SBL   1  1  30
M  SMT   1  CH2OH
M  SVB   1 30    3.7149   -0.8322
S  SKP  8
ID	FL7AAAGL0001
KNApSAcK_ID	C00002387
NAME	Pelargonin;Pelargonidin 3,5-di-beta-D-glucoside
CAS_RN	17334-58-6
FORMULA	C27H31O15
EXACTMASS	595.166295322
AVERAGEMASS	595.52604
SMILES	c(O)(c5)ccc(c5)c(c3O[C@H](O4)C(C(O)[C@H]([C@H]4CO)O)O)[o+1]c(c(c3)1)cc(O)cc1O[C@H](O2)[C@H]([C@H]([C@@H](O)C2CO)O)O
M  END

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