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CHEBI:132616 - triptotriterpenic acid B

ChEBI IDCHEBI:132616
ChEBI Nametriptotriterpenic acid B
Stars
DefinitionA pentacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium hypoglaucum.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@]4([H])C[C@@](C)(C(=O)O)C[C@@H](O)[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,26+,27+,28-,29+,30+/m0/s1
InChIKeyJTBGJQZJEYVBJZ-UZUOTXETSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) - PubMed (2534610)
Abrus precatorius (ncbitaxon:3816)
leaf (BTO:0000713) PubMed (22210168)
stem (BTO:0001300) PubMed (22210168)
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)
triptotriterpenic acid B (CHEBI:132616) has parent hydride oleanane (CHEBI:36481)
triptotriterpenic acid B (CHEBI:132616) has role plant metabolite (CHEBI:76924)
triptotriterpenic acid B (CHEBI:132616) is a diol (CHEBI:23824)
triptotriterpenic acid B (CHEBI:132616) is a hydroxy monocarboxylic acid (CHEBI:35868)
triptotriterpenic acid B (CHEBI:132616) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(3β,22β)-3,22-dihydroxyolean-12-en-30-oic acid
Synonym  Source
3β,22β-dihydroxyolean-12-en-30-oic acidChemIDplus
Manual XrefsDatabases
195563PubChem Compound
Registry NumbersSources
Reaxys:5857674Reaxys
Citations