CHEBI:69584 - Palbinone

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ChEBI Name Palbinone
ChEBI ID CHEBI:69584
Definition A natural product found in Paeonia rockii subspeciesrockii.
Stars This entity has been manually annotated by a third party.
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Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.47120
Monoisotopic Mass 358.21441
InChI InChI=1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1
InChIKey KIAKLFLISZCITK-PPAUHQMUSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C(O)C(=O)C(=O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C
Metabolite of Species Details
Paeonia rockii subsp. rockii (NCBI:txid459179) Found in root (BTO:0001188). Isolated from chloroform soluble extract of air-dried and powdered roots See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Palbinone (CHEBI:69584) has role metabolite (CHEBI:25212)
Palbinone (CHEBI:69584) is a 16-oxo steroid (CHEBI:47786)
Synonym Source
18-Norandrosta-11,13(17)-diene-15,16-dione, 3,17-dihydroxy-4,4,8,14-tetramethyl-, (3beta,5alpha)- ChEBI
Registry Number Type Source
139954-00-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:17-hydroxy steroid(CHEBI:36838); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:cyclic ketone(CHEBI:3992); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:enol(CHEBI:33823);