Mol:FL3FAADS0030

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  52  53 
M  SBL   3  1  57 
M  SMT   3  CH2OH 
M  SVB   3 57   -3.7276   -2.4622 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  50  51 
M  SBL   2  1  55 
M  SMT   2  CH2OH 
M  SVB   2 55   -3.0906   -0.5712 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  48  49 
M  SBL   1  1  53 
M  SMT   1  CH2OH 
M  SVB   1 53    4.1676    3.0584 
S  SKP  8 
ID	FL3FAADS0030 
KNApSAcK_ID	C00006407 
NAME	Isovitexin 4',2''-di-O-glucoside 
CAS_RN	63316-27-8 
FORMULA	C33H40O20 
EXACTMASS	756.21129372 
AVERAGEMASS	756.6587 
SMILES	O=C(C=4)c(c(O)1)c(OC4c(c6)ccc(c6)O[C@H](O5)[C@@H](O)[C@H]([C@@H](O)C(CO)5)O)cc(O)c1[C@@H]([C@@H](O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@H](O)3)O)2)OC(CO)[C@H](O)[C@@H]2O 
M  END