Mol:FL7AAAGL0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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    0.8014   -4.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.4373   -3.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.2233   -1.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3698   -2.6132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
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  8  9  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  CH2OH 
M  SVB   1 33    3.2233    -1.624 
S  SKP  8 
ID	FL7AAAGL0002 
KNApSAcK_ID	C00006630 
NAME	Callistephin;Pelargonidin 3-O-beta-D-glucopyranoside 
CAS_RN	18466-51-8 
FORMULA	C21H21O10 
EXACTMASS	433.113471892 
AVERAGEMASS	433.38544 
SMILES	c(c4)(ccc(O)c4)c(c(O[C@@H](C(O)3)O[C@H](CO)[C@H](O)C3O)1)[o+1]c(c2)c(c(cc(O)2)O)c1 
M  END