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CHEBI:67912 - rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid

ChEBI IDCHEBI:67912
ChEBI Namerel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid
Stars
ASCII Namerel-2alpha,3alpha,19alpha,23-tetrahydroxyolean-12-en-28-oic acid
DefinitionA pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3, 19 and 23 respectively. It has been isolated from the leaves of Rosa laevigata.
Last Modified27 May 2015
DownloadsMolfile
FormulaC30H48O6
Net Charge0
Average Mass504.708
Monoisotopic Mass504.34509
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CCC(C)(C)[C@@H](O)[C@@]34[H])[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@@H](O)[C@@H](O)[C@@]1(C)CO
InChIInChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22-,23+,26+,27+,28-,29-,30+/m1/s1
InChIKeyIFIQVSCCFRXSJV-OUKLVGNVSA-N
Species of MetaboliteComponentSourceComments
Rosa laevigata (ncbitaxon:74652) leaf (BTO:0000713) PubMed (21384845) 70% EtOH extract of dried leaves
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) has parent hydride oleanane (CHEBI:36481)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) has role plant metabolite (CHEBI:76924)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) is a hydroxy monocarboxylic acid (CHEBI:35868)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) is a pentacyclic triterpenoid (CHEBI:25872)
rel-2α,3α,19α,23-tetrahydroxyolean-12-en-28-oic acid (CHEBI:67912) is a tetrol (CHEBI:33573)
IUPAC Name 
rel-(2α,3α,19α)-2,3,19,23-tetrahydroxyolean-12-en-28-oic acid
Citations