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CHEBI:225100 - Asperophiobolin H

ChEBI IDCHEBI:225100
ChEBI NameAsperophiobolin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESCC1=CC(=O)[C@@H]2/C(C=O)=C\C[C@H]3[C@@H]([C@@H](C)/C=C\[C@H](O)C(C)(C)O)CC[C@]3(C)C[C@H]12
InChIInChI=1S/C25H36O4/c1-15(6-9-22(28)24(3,4)29)18-10-11-25(5)13-19-16(2)12-21(27)23(19)17(14-26)7-8-20(18)25/h6-7,9,12,14-15,18-20,22-23,28-29H,8,10-11,13H2,1-5H3/b9-6-,17-7-/t15-,18+,19+,20-,22-,23+,25+/m0/s1
InChIKeyZCYAUPOUCSSQGA-SFJLRTIMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31365251)
ChEBI Ontology
Outgoing Relation(s)
Asperophiobolin H (CHEBI:225100) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,7S,8E,11S,12R)-12-[(Z,2S,5S)-5,6-dihydroxy-6-methylhept-3-en-2-yl]-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde
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