CHEBI:132350 - triptobenzene D

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ChEBI Name triptobenzene D
ChEBI ID CHEBI:132350
Definition An abietane diterpenoid with formula C20H26O2, originally isolated from Tripterygium wilfordii.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C20H26O2
Net Charge 0
Average Mass 298.420
Monoisotopic Mass 298.19328
InChI InChI=1S/C20H26O2/c1-12(2)14-5-8-18-15(11-14)6-7-17-13(3)16(19(21)22)9-10-20(17,18)4/h5,8,11-12,17H,6-7,9-10H2,1-4H3,(H,21,22)/t17-,20-/m0/s1
InChIKey AVELPKSDGFIWLJ-PXNSSMCTSA-N
SMILES [C@]12([C@](CCC(=C1C)C(=O)O)(C3=C(CC2)C=C(C=C3)C(C)C)C)[H]
Metabolite of Species Details
Tripterygium wilfordii (NCBI:txid458696) 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 triptobenzene D (CHEBI:132350) has role plant metabolite (CHEBI:76924)
triptobenzene D (CHEBI:132350) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
triptobenzene D (CHEBI:132350) is a abietane diterpenoid (CHEBI:36762)
triptobenzene D (CHEBI:132350) is a carbotricyclic compound (CHEBI:38032)
triptobenzene D (CHEBI:132350) is a tricyclic diterpenoid (CHEBI:79084)
IUPAC Name
(4aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid
Synonym Source
18-norabieta-3,8,11,13-tetraene-3-oic acid ChEBI
Registry Number Type Source
5576059 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11561442 PubMed citation Europe PMC
Last Modified
24 October 2016