EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225106 - Asperophiobolin I

ChEBI IDCHEBI:225106
ChEBI NameAsperophiobolin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O3
Net Charge0
Average Mass382.544
Monoisotopic Mass382.25079
SMILESCC1=CC(=O)[C@H]2/C(C=O)=C\C[C@H]3[C@@H]([C@@H](C)/C=C\[C@@H]4OC4(C)C)CC[C@]3(C)C[C@H]12
InChIInChI=1S/C25H34O3/c1-15(6-9-22-24(3,4)28-22)18-10-11-25(5)13-19-16(2)12-21(27)23(19)17(14-26)7-8-20(18)25/h6-7,9,12,14-15,18-20,22-23H,8,10-11,13H2,1-5H3/b9-6-,17-7-/t15-,18+,19+,20-,22-,23-,25+/m0/s1
InChIKeyHPDVXTMBSBRHFZ-WBBAMFPJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31365251)
ChEBI Ontology
Outgoing Relation(s)
Asperophiobolin I (CHEBI:225106) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,7R,8E,11S,12R)-12-[(Z,2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]but-3-en-2-yl]-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde