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> Main
CHEBI:67438 - taraxasterol acetate
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ChEBI Ontology
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ChEBI Name
taraxasterol acetate
ChEBI ID
CHEBI:67438
Definition
A natural product found in
Eupatorium cannabinum
subspecies
asiaticum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C32H52O2
Net Charge
0
Average Mass
468.75410
Monoisotopic Mass
468.39673
InChI
InChI=1S/C32H52O2/c1-
20-
12-
15-
29(6)
18-
19-
31(8)
23(27(29)
21(20)
2)
10-
11-
25-
30(7)
16-
14-
26(34-
22(3)
33)
28(4,5)
24(30)
13-
17-
32(25,31)
9/h21,23-
27H,1,10-
19H2,2-
9H3/t21-
,23-
,24+,25-
,26+,27-
,29-
,30+,31-
,32-
/m1/s1
InChIKey
SFEUTIOWNUGQMZ-ZHLOSDGBSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@@]
4(C)
CC[C@H]
(OC(C)
=O)
C(C)
(C)
[C@]
4([H]
)
CC[C@@]
3(C)
[C@]
1(C)
CC[C@@]
1(C)
CCC(=C)
[C@@H]
(C)
[C@]
21[H]
Metabolite of Species
Details
Eupatorium cannabinum
subsp.
asiaticum
(NCBI:txid102770)
Found in aerial part
(BTO:0001658)
. MeOH extract of shade-dried, pulverized aerial parts See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
taraxasterol acetate (
CHEBI:67438
)
has role
metabolite (
CHEBI:25212
)
taraxasterol acetate (
CHEBI:67438
)
is a
triterpenoid (
CHEBI:36615
)
Synonyms
Sources
(3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate
ChEBI
Lactucon
ChEBI
Manual Xref
Database
0006426433
ChemIDplus
View more database links
Citation
Type
Source
21391659
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);