Mol:FL7AADGL0015

Revision as of 09:00, 7 October 2008

<pre>

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  55  56
M  SBL   2  1  60
M  SMT   2  CH2OH
M  SVB   2 60   -1.5597   -2.3142
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  53  54
M  SBL   1  1  58
M  SMT   1  OCH3
M  SVB   1 58    0.7113    3.7203
S  SKP  8
ID	FL7AADGL0015
KNApSAcK_ID	C00006863
NAME	Penidin 3-[6-(3-glucosylcaffeyl)glucoside]
CAS_RN	175737-95-8
FORMULA	C37H39O19
EXACTMASS	787.208554066
AVERAGEMASS	787.69416
SMILES	c(c(O)6)c(c(c(c6)O)4)[o+1]c(c(c5)cc(c(c5)O)OC)c(c4)O[C@H](O1)C(O)C([C@H]([C@H]1COC(C=Cc(c2)ccc(O)c2O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)=O)O)O
M  END

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