EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213704 - Aszonapyrone C

ChEBI IDCHEBI:213704
ChEBI NameAszonapyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O4
Net Charge0
Average Mass454.651
Monoisotopic Mass454.30831
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC/C(C)=C/CC3=C(O)C=C(C)CC3=O)C(C)=CC[C@H]2C1(C)C
InChIInChI=1S/C29H42O4/c1-18(8-11-22-24(31)16-19(2)17-25(22)32)9-12-23-20(3)10-13-26-28(5,6)27(33-21(4)30)14-15-29(23,26)7/h8,10,16,23,26-27,31H,9,11-15,17H2,1-7H3/b18-8+/t23-,26-,27-,29+/m0/s1
InChIKeyBEFABPJGEUVAFN-LTZCFBQWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus hiratsukae (ncbitaxon:1194566) - PubMed (31982554)
ChEBI Ontology
Outgoing Relation(s)
Aszonapyrone C (CHEBI:213704) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(2S,4aR,5S,8aR)-5-[(E)-5-(2-hydroxy-4-methyl-6-oxocyclohexa-1,3-dien-1-yl)-3-methylpent-3-enyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate