CHEBI:206084 - Ophiobolin Q

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ophiobolin Q
ChEBI ID CHEBI:206084
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O4
Net Charge 0
Average Mass 400.559
Monoisotopic Mass 400.26136
InChI InChI=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
InChIKey ZCYAUPOUCSSQGA-WBBAMFPJSA-N
SMILES O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3[C@@H]([C@H](/C=C\[C@H](O)C(O)(C)C)C)CC[C@@]3(C2)C)C=O
Metabolite of Species Details
[Ulocladiumspecies (NCBI:txid1914427) See: PubMed
ChEBI Ontology
Outgoing Ophiobolin Q (CHEBI:206084) is a sesterterpenoid (CHEBI:26660)
IUPAC Name
(1R,3S,7R,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
Manual Xref Database
77429709 ChemSpider
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