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CHEBI:132337 - triptoditerpenic acid B

ChEBI IDCHEBI:132337
ChEBI Nametriptoditerpenic acid B
Stars
DefinitionA tricyclic diterpenoid with formula C21H28O3, originally isolated from Tripterygium hypoglaucum.
Last Modified24 October 2016
Submitterliuqingping
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILESCOc1c(C(C)C)ccc2c1CCC1C(C)=C(C(=O)O)CCC21C
InChIInChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)
InChIKeyUAEUNTXALQHLMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Tripterygium hypoglaucum (ncbitaxon:205465) - PubMed (8328267)
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)
triptoditerpenic acid B (CHEBI:132337) has role plant metabolite (CHEBI:76924)
triptoditerpenic acid B (CHEBI:132337) is a monomethoxybenzene (CHEBI:25235)
triptoditerpenic acid B (CHEBI:132337) is a tricyclic diterpenoid (CHEBI:79084)
triptoditerpenic acid B (CHEBI:132337) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
8-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid
Synonyms  Source
NSC672174SUBMITTER
NSC 672174ChEBI
NSC-672174ChEBI
Manual XrefsDatabases
192372PubChem Compound
Registry NumbersSources
CAS:147362-43-4ChemIDplus
Citations