more general categories    
information about this item 
 
 
03. Biological Effects of Specific Chemicals    
 
 
 
 
 
 
03. Biological Effects of Specific Chemicals  
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
05. Industrial Uses    
 
 
 
 
 
 
05. Industrial Uses  
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
08. Chemical Category    
 
 
 
 
 
 
08. Chemical Category  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
  grayanotoxin I [CHEBI:5542]   (1)  
 
 
 
 
ChEBI Compound Accession Identifier :  
 [CHEBI:5542] 
 
ChEBI Compound Description :  
 A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. 
 
ChEBI Compound Identification Number :  
 5542 
 
ChEBI InChI Value :  
 InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1 
 
ChEBI InChIKey Value :  
 NXCYBYJXCJWMRY-VGBBEZPXSA-N 
 
ChEBI Compound Name :  
 grayanotoxin I 
 
ChEBI SMILES Value :  
 [H][C@]12CC[C@H]3[C@@](C)(O)[C@]4([H])C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]3(C[C@@]1(C)O)[C@@H]2OC(C)=O 
 
ChEBI Substance ID :  
 14717844 
 
ChEBI URL :  
 ChEBI:5542  
 
ChemSpider ID :  
 7827535 
 
Ontomatica Chemical Accession Key (OnChAKey) :  
 NXCYBYJXCJWMRY_VGBBEZPXSA_N_000_000000 
 
PubChem Compound ID :  
 9548612