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CHEBI:225084 - Asperophiobolin E

ChEBI IDCHEBI:225084
ChEBI NameAsperophiobolin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O3
Net Charge0
Average Mass382.544
Monoisotopic Mass382.25079
SMILESCC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3/C(C(=O)O)=C\C[C@@H]12
InChIInChI=1S/C25H34O3/c1-15(2)7-6-8-16(3)18-11-12-25(5)14-20-17(4)13-22(26)23(20)19(24(27)28)9-10-21(18)25/h6-9,13,16,18,20-21,23H,10-12,14H2,1-5H3,(H,27,28)/b8-6-,19-9+/t16-,18+,20+,21-,23-,25+/m0/s1
InChIKeySQPAMJOSHZSSOT-IPNGRVRVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31365251)
ChEBI Ontology
Outgoing Relation(s)
Asperophiobolin E (CHEBI:225084) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,7R,8E,11S,12R)-1,4-dimethyl-12-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carboxylic acid
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