CHEBI:69587 - Paeonenoide C

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ChEBI Name Paeonenoide C
ChEBI ID CHEBI:69587
Definition A natural product found in Paeonia rockii subspeciesrockii.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H42O4
Net Charge 0
Average Mass 442.63070
Monoisotopic Mass 442.30831
InChI InChI=1S/C28H42O4/c1-17-8-13-28(23(30)31)15-14-25(3)18(19(28)16-17)6-7-20-24(2)11-10-22(29)27(5,32)21(24)9-12-26(20,25)4/h6,19-22,29,32H,1,7-16H2,2-5H3,(H,30,31)/t19-,20+,21+,22-,24+,25+,26+,27+,28-/m0/s1
InChIKey VIDISXWZNJLDBI-IDEZQVRVSA-N
SMILES [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(O)[C@]3([H])CC[C@@]12C)C(O)=O
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 C (CHEBI:69587) has role metabolite (CHEBI:25212)
Paeonenoide C (CHEBI:69587) is a tertiary alcohol (CHEBI:26878)
Citation Waiting for Citations Type Source
21954959 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);