CHEBI:69580 - 23-Hydroxybetulinic acid

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ChEBI Name 23-Hydroxybetulinic acid
ChEBI ID CHEBI:69580
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 C30H48O4
Net Charge 0
Average Mass 472.69970
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1
InChIKey HXWLKAXCQLXHML-WGOZWDAUSA-N
SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])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 23-Hydroxybetulinic acid (CHEBI:69580) has parent hydride lupane (CHEBI:36485)
23-Hydroxybetulinic acid (CHEBI:69580) has role metabolite (CHEBI:25212)
23-Hydroxybetulinic acid (CHEBI:69580) is a triterpenoid (CHEBI:36615)
Synonyms Sources
(3beta)-3,23-dihydroxylup-20(29)-en-28-oic acid ChEBI
Anemosapogenin ChEBI
Citation Waiting for Citations Type Source
21954959 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:hydroxy steroid(CHEBI:35350); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);