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CHEBI:69580 - 23-Hydroxybetulinic acid

ChEBI IDCHEBI:69580
ChEBI Name23-Hydroxybetulinic acid
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
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(C(=O)O)CC[C@@H](C(=C)C)[C@@]12[H]
InChIInChI=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
InChIKeyHXWLKAXCQLXHML-WGOZWDAUSA-N
Species of MetaboliteComponentSourceComments
Paeonia rockii subsp. rockii (ncbitaxon:459179) root (BTO:0001188) PubMed (21954959) Isolated from chloroform soluble extract of air-dried and powdered roots
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
(3beta)-3,23-dihydroxylup-20(29)-en-28-oic acidChEBI
AnemosapogeninChEBI
Citations