CHEBI:220788 - 3alpha-hydroxy-7-ene-6,20-dione

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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 3alpha-hydroxy-7-ene-6,20-dione
ChEBI ID CHEBI:220788
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.468
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h11,13,15-18,23H,4-10H2,1-3H3/t13-,15-,16+,17+,18-,20-,21-/m1/s1
InChIKey ITQQYFJOUPZZSQ-RNXNTLDPSA-N
SMILES O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3C(=O)C)C)[C@@]4([C@@H]1C[C@H](O)CC4)C
Metabolite of Species Details
Cladosporium (NCBI:txid5498) See: PubMed
ChEBI Ontology
Outgoing 3alpha-hydroxy-7-ene-6,20-dione (CHEBI:220788) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name
(3R,5S,9R,10R,13S,14R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
Manual Xref Database
65321345 ChemSpider
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