CHEBI:213808 - Saturnispol C

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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 Saturnispol C
ChEBI ID CHEBI:213808
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O4
Net Charge 0
Average Mass 352.430
Monoisotopic Mass 352.16746
InChI InChI=1S/C22H24O4/c1-4-5-7-12-17(23)18-16-13-15(14-10-8-6-9-11-14)21(2,19(18)24)20(25)22(16,3)26/h4-12,15-16,23,26H,13H2,1-3H3/t15-,16-,21+,22+/m0/s1
InChIKey BYTNTFUMKVJFHV-RZTYQLBFSA-N
SMILES O=C1C(=C(O)C=CC=CC)[C@H]2[C@](O)(C)C([C@@]1([C@H](C3=CC=CC=C3)C2)C)=O
Metabolite of Species Details
Trichoderma saturnisporum (NCBI:txid5549) See: PubMed
ChEBI Ontology
Outgoing Saturnispol C (CHEBI:213808) is a benzenes (CHEBI:22712)
IUPAC Name
(1R,3R,4S,7S)-3-hydroxy-5-(1-hydroxyhexa-2,4-dienylidene)-1,3-dimethyl-7-phenylbicyclo[2.2.2]octane-2,6-dione