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03. Biological Effects of Specific Chemicals   
03. Biological Effects of Specific Chemicals 
 
 
 
 
  neriifolin [CHEBI:7522] (1) 05. Industrial Uses   
05. Industrial Uses 
 
 
 
 
  neriifolin [CHEBI:7522] (1) 
 
 
  neriifolin [CHEBI:7522] (1) 08. Chemical Category   
08. Chemical Category 
 
 
 
 
 
 
 
 
  neriifolin [CHEBI:7522] (1) 
 
 
 
 
 
  neriifolin [CHEBI:7522] (1) 
 
 
 
 
 
 
 
 
  neriifolin [CHEBI:7522] (1) ChEBI Compound Accession Identifier :  [CHEBI:7522] 
ChEBI Compound Description :  A cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia. 
ChEBI Compound Identification Number :  7522 
ChEBI InChI Value :  InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1 
ChEBI InChIKey Value :  VPUNMTHWNSJUOG-BAOINKAISA-N 
ChEBI Compound Name :  neriifolin 
ChEBI SMILES Value :  [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1O 
ChEBI Substance ID :  24434810 
ChEBI URL :  ChEBI:7522  
ChemSpider ID :  390443 
Ontomatica Chemical Accession Key (OnChAKey) :  VPUNMTHWNSJUOG_BAOINKAISA_N_000_000000 
PubChem Compound ID :  441867