CHEBI:204433 - Terresterone A

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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 Terresterone A
ChEBI ID CHEBI:204433
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O4
Net Charge 0
Average Mass 342.435
Monoisotopic Mass 342.18311
InChI InChI=1S/C21H26O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-18,23-24H,4,7,9-10H2,1-3H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey BYQIJKZHMIZGDV-JPRZGNOKSA-N
SMILES O=C1[C@@]2(C(C(=O)C)=CC[C@H]2C3=CCC=4[C@@]([C@H]3C1)(C[C@H](O)[C@H](C4)O)C)C
Metabolite of Species Details
Thelephora (NCBI:txid56489) See: PubMed
ChEBI Ontology
Outgoing Terresterone A (CHEBI:204433) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name
(2S,3S,9S,10R,13S,14S)-17-acetyl-2,3-dihydroxy-10,13-dimethyl-1,2,3,6,9,11,14,15-octahydrocyclopenta[a]phenanthren-12-one
Manual Xref Database
9500289 ChemSpider
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