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CHEBI:225054 - Asperophiobolin J

ChEBI IDCHEBI:225054
ChEBI NameAsperophiobolin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O5
Net Charge0
Average Mass418.574
Monoisotopic Mass418.27192
SMILESC[C@@H](/C=C\[C@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(=O)C[C@@]3(C)O)/C(C=O)=C\C[C@@H]12
InChIInChI=1S/C25H38O5/c1-15(6-9-21(28)23(2,3)29)17-10-11-24(4)12-19-22(20(27)13-25(19,5)30)16(14-26)7-8-18(17)24/h6-7,9,14-15,17-19,21-22,28-30H,8,10-13H2,1-5H3/b9-6-,16-7-/t15-,17+,18-,19-,21-,22-,24+,25+/m0/s1
InChIKeyULZUWKJCVZFDGB-XKFSNJOWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31365251)
ChEBI Ontology
Outgoing Relation(s)
Asperophiobolin J (CHEBI:225054) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,4R,7R,8E,11S,12R)-12-[(Z,2S,5S)-5,6-dihydroxy-6-methylhept-3-en-2-yl]-4-hydroxy-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde