EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211747 - Hypocrellol G

Default Structure
ChEBI IDCHEBI:211747
ChEBI NameHypocrellol G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
SMILESCC(=O)OC[C@H](CCC1OC1(C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C32H48O5/c1-20(34)36-18-21(8-11-27-32(7,19-33)37-27)22-12-16-31(6)24-9-10-25-28(2,3)26(35)14-15-29(25,4)23(24)13-17-30(22,31)5/h9,13,21-22,25,27,33H,8,10-12,14-19H2,1-7H3/t21-,22+,25-,27?,29+,30+,31-,32?/m0/s1
InChIKeyZPLDNEOLUBLZNG-VSGGCOINSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) - PubMed (21995505)
ChEBI Ontology
Outgoing Relation(s)
Hypocrellol G (CHEBI:211747) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R)-4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
Manual XrefsDatabases
28289266ChemSpider