CHEBI:211610 - Terresterone B

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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 B
ChEBI ID CHEBI:211610
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O5
Net Charge 0
Average Mass 358.434
Monoisotopic Mass 358.17802
InChI InChI=1S/C21H26O5/c1-10(22)13-6-7-14-12-5-4-11-8-16(23)18(25)19(26)20(11,2)15(12)9-17(24)21(13,14)3/h5-6,8,14-16,18-19,23,25-26H,4,7,9H2,1-3H3/t14-,15-,16-,18+,19-,20-,21+/m0/s1
InChIKey DLJITFFQRIHLKS-CZFMHFDVSA-N
SMILES O=C1[C@@]2(C(C(=O)C)=CC[C@H]2C3=CCC=4[C@@]([C@H]3C1)([C@@H](O)[C@H](O)[C@H](C4)O)C)C
Metabolite of Species Details
Thelephora (NCBI:txid56489) See: PubMed
ChEBI Ontology
Outgoing Terresterone B (CHEBI:211610) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name
(1R,2R,3S,9S,10R,13S,14S)-17-acetyl-1,2,3-trihydroxy-10,13-dimethyl-1,2,3,6,9,11,14,15-octahydrocyclopenta[a]phenanthren-12-one
Manual Xref Database
9431900 ChemSpider
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