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CHEBI:132350 - triptobenzene D
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ChEBI Name
triptobenzene D
ChEBI ID
CHEBI:132350
Definition
An abietane diterpenoid with formula C
20
H
26
O
2
, 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 (Br
o
nsted 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
(4a
S
,10a
S
)-
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
Type
Source
11561442
PubMed citation
Europe PMC
Last Modified
24 October 2016