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CHEBI:69223 - 3α-hydroxyolean-11,13(18)-dien-28-oic acid

ChEBI IDCHEBI:69223
ChEBI Name3α-hydroxyolean-11,13(18)-dien-28-oic acid
Stars
ASCII Name3alpha-hydroxyolean-11,13(18)-dien-28-oic acid
DefinitionA pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by an α-hydroxy group at position 3 and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa.
Last Modified2 December 2013
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@]12C=CC3=C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21-,22+,23+,27-,28+,29+,30-/m0/s1
InChIKeyXMOMYSSKYVFTKO-LNVXMQETSA-N
Species of MetaboliteComponentSourceComments
Fatsia polycarpa (ncbitaxon:230586)
leaf (BTO:0000713) PubMed (21766884) CH2Cl2 soluble fraction of Methanolic extract of air-dried, powdered leaves and twigs
twig (BTO:0001411) PubMed (21766884) CH2Cl2 soluble fraction of Methanolic extract of air-dried, powdered leaves and twigs
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) has parent hydride oleanane (CHEBI:36481)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) has role metabolite (CHEBI:25212)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) has role plant metabolite (CHEBI:76924)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) is a hydroxy monocarboxylic acid (CHEBI:35868)
3α-hydroxyolean-11,13(18)-dien-28-oic acid (CHEBI:69223) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(3α)-3-hydroxyoleana-11,13(18)-dien-28-oic acid
Registry NumbersSources
Reaxys:8739750Reaxys
Citations