CHEBI:69586 - Paeonenoide A

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ChEBI Name Paeonenoide A
ChEBI ID CHEBI:69586
Definition A natural product found in Paeonia rockii subspeciesrockii.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H40O6
Net Charge 0
Average Mass 472.61360
Monoisotopic Mass 472.28249
InChI InChI=1S/C28H40O6/c1-15-5-10-26-12-11-25(4)24(3)9-6-16-23(2,8-7-18(30)27(16,32)14-29)20(24)19-21(33-19)28(25,17(26)13-15)34-22(26)31/h16-21,29-30,32H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26+,27-,28-/m1/s1
InChIKey QUSTXILFWOVTCK-WEEWHIELSA-N
SMILES [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](O)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H]
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 Paeonenoide A (CHEBI:69586) has role metabolite (CHEBI:25212)
Paeonenoide A (CHEBI:69586) is a hydroxy steroid (CHEBI:35350)
Citation Waiting for Citations Type Source
21954959 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxacycle(CHEBI:38104); ISA:gamma-lactone(CHEBI:37581); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);