CHEBI:67946 - 1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid

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ChEBI Name 1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid
ChEBI ID CHEBI:67946
ChEBI ASCII Name 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid
Definition A natural product found in Juglans sinensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.68320
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-27(4)18(19(30)16-25)7-8-21-28(27,5)10-9-20-26(3,17-31)22(32)15-23(33)29(20,21)6/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21-,22-,26-,27+,28+,29-,30-/m0/s1
InChIKey BYWZDPHXZQSASO-DLRRJOOFSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
Metabolite of Species Details
Juglans sinensis (NCBI:txid442437-1) Found in twig (BTO:0001411). 80% Methanolic extract of dried leaves and twigs See: PubMed
Juglans sinensis (NCBI:txid442437-1) Found in leaf (BTO:0000713). 80% Methanolic extract of dried leaves and twigs See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid (CHEBI:67946) has parent hydride oleanane (CHEBI:36481)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid (CHEBI:67946) has role plant metabolite (CHEBI:76924)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid (CHEBI:67946) is a cyclic terpene ketone (CHEBI:36130)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid (CHEBI:67946) is a dihydroxy monocarboxylic acid (CHEBI:35972)
1-oxo-3β,23-dihydroxyolean-12-en-28-oic acid (CHEBI:67946) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
3β,23-dihydroxy-1-oxoolean-12-en-28-oic acid
Registry Number Type Source
9459129 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21309591 PubMed citation Europe PMC
Last Modified
20 January 2014