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CHEBI:225059 - Asperophiobolin K

ChEBI IDCHEBI:225059
ChEBI NameAsperophiobolin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILESCC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@@]3(O)[C@H](C)C[C@@H](O)[C@@H]3/C(C=O)=C\C[C@@H]12
InChIInChI=1S/C25H38O3/c1-16(2)7-6-8-17(3)20-11-12-24(5)15-25(28)18(4)13-22(27)23(25)19(14-26)9-10-21(20)24/h6-9,14,17-18,20-23,27-28H,10-13,15H2,1-5H3/b8-6-,19-9-/t17-,18+,20+,21-,22+,23-,24+,25+/m0/s1
InChIKeyUBNPMTQHPOHFMQ-TUSYHOFKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31365251)
ChEBI Ontology
Outgoing Relation(s)
Asperophiobolin K (CHEBI:225059) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3R,4R,6R,7S,8E,11S,12R)-3,6-dihydroxy-1,4-dimethyl-12-[(2S,3Z)-6-methylhepta-3,5-dien-2-yl]tricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
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77429713ChemSpider