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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:138219 -
ent
-atiserene
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ChEBI Name
ent
-atiserene
ChEBI ID
CHEBI:138219
ChEBI ASCII Name
ent-atiserene
Definition
A diterpene that is the enantiomer of atisane which has undergone formal dehydrogenation to indroduce an exocyclic double bond at position 16.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C20H32
Net Charge
0
Average Mass
272.469
Monoisotopic Mass
272.25040
InChI
InChI=1S/C20H32/c1-
14-
13-
20-
10-
6-
15(14)
12-
17(20)
19(4)
9-
5-
8-
18(2,3)
16(19)
7-
11-
20/h15-
17H,1,5-
13H2,2-
4H3/t15-
,16+,17-
,19+,20+/m0/s1
InChIKey
LFRRHLVVLXYROS-YQXATGRUSA-N
SMILES
C1CCC([C@@]2([C@@]1([C@]3([C@]4(CC2)CC([C@H](C3)CC4)=C)[H])C)[H])(C)C
Metabolite of Species
Details
Araucaria araucana
(NCBI:txid42754)
Found in essential oil See:
DOI
Roles Classification
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
ent
-atiserene (
CHEBI:138219
)
has role
plant metabolite (
CHEBI:76924
)
ent
-atiserene (
CHEBI:138219
)
is a
diterpene (
CHEBI:35190
)
ent
-atiserene (
CHEBI:138219
)
is a
olefinic compound (
CHEBI:78840
)
ent
-atiserene (
CHEBI:138219
)
is a
polycyclic hydrocarbon (
CHEBI:33666
)
IUPAC Name
(5β,8α,9β,10α,12α)-atis-16-ene
Synonyms
Sources
(−)-atisirene
ChEBI
ent
-atiser-16-ene
ChEBI
ent
-atiserene
UniProt
Manual Xrefs
Databases
C00000879
KNApSAcK
CPD-20256
MetaCyc
View more database links
Registry Numbers
Types
Sources
20230-48-2
CAS Registry Number
NIST Chemistry WebBook
20230-48-2
CAS Registry Number
KNApSAcK
2559115
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17892288
PubMed citation
Europe PMC
21825154
PubMed citation
Europe PMC
28381502
PubMed citation
SUBMITTER
Last Modified
20 September 2017