CHEBI:132351 - triptobenzene H

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ChEBI Name triptobenzene H
Definition An abietane diterpenoid with formula C21H28O4, 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 C21H28O4
Net Charge 0
Average Mass 344.445
Monoisotopic Mass 344.19876
InChI InChI=1S/C21H28O4/c1-11(2)15-10-17(22)18-14(19(15)25-5)6-7-16-12(3)13(20(23)24)8-9-21(16,18)4/h10-11,16,22H,6-9H2,1-5H3,(H,23,24)/t16-,21-/m0/s1
SMILES [C@]12([C@](CCC(=C1C)C(=O)O)(C3=C(CC2)C(=C(C=C3O)C(C)C)OC)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.
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ChEBI Ontology
Outgoing triptobenzene H (CHEBI:132351) has role plant metabolite (CHEBI:76924)
triptobenzene H (CHEBI:132351) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
triptobenzene H (CHEBI:132351) is a abietane diterpenoid (CHEBI:36762)
triptobenzene H (CHEBI:132351) is a carbotricyclic compound (CHEBI:38032)
triptobenzene H (CHEBI:132351) is a monomethoxybenzene (CHEBI:25235)
triptobenzene H (CHEBI:132351) is a phenols (CHEBI:33853)
triptobenzene H (CHEBI:132351) is a tricyclic diterpenoid (CHEBI:79084)
(4aS,10aS)-5-hydroxy-8-methoxy-1,4a-dimethyl-7-(propan-2-yl)-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid
Manual Xref Database
C00049756 KNApSAcK
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Registry Numbers Types Sources
146900-55-2 CAS Registry Number KNApSAcK
7830097 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11561442 PubMed citation Europe PMC
Last Modified
24 October 2016