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CHEBI:132614 - triptohairic acid
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ChEBI Name
triptohairic acid
ChEBI ID
CHEBI:132614
Definition
A tricyclic diterpenoid having formula C
21
H
28
O
2
, originally isolated from the roots of
Tripterygium wilfordii
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C21H28O3
Net Charge
0
Average Mass
328.446
Monoisotopic Mass
328.20384
InChI
InChI=1S/C21H28O3/c1-
12(2)
16-
10-
14-
6-
7-
17-
13(3)
15(20(22)
23)
8-
9-
21(17,4)
18(14)
11-
19(16)
24-
5/h10-
12,17H,6-
9H2,1-
5H3,(H,22,23)
/t17-
,21-
/m0/s1
InChIKey
DJRFNRVSOMFEMZ-UWJYYQICSA-N
SMILES
O(C=1C=C2[C@@]3([C@@](CCC2=CC1C(C)C)(C(=C(CC3)C(O)=O)C)[H])C)C
Metabolite of Species
Details
Tripterygium wilfordii
(NCBI:txid458696)
See:
PubMed
Tripterygium wilfordii
(NCBI:txid458696)
Found in root
(BTO:0001188)
. See: Asian Journal of Chemistry . 2014, Vol. 26 Issue 14, p4344-4346
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
triptohairic acid (
CHEBI:132614
)
has role
plant metabolite (
CHEBI:76924
)
triptohairic acid (
CHEBI:132614
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
triptohairic acid (
CHEBI:132614
)
is a
aromatic ether (
CHEBI:35618
)
triptohairic acid (
CHEBI:132614
)
is a
tricyclic diterpenoid (
CHEBI:79084
)
IUPAC Name
(4a
S
,10a
S
)-
6-
methoxy-
1,4a-
dimethyl-
7-
(propan-
2-
yl)-
3,4,4a,9,10,10a-
hexahydrophenanthrene-
2-
carboxylic acid
Registry Number
Type
Source
8228973
Reaxys Registry Number
Reaxys
Citation
Type
Source
24549173
PubMed citation
Europe PMC
Last Modified
23 November 2016