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ChEBI
> Main
CHEBI:138233 - 9,13(
R
)-epoxylabd-14-ene
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ChEBI Ontology
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ChEBI Name
9,13(
R
)-epoxylabd-14-ene
ChEBI ID
CHEBI:138233
ChEBI ASCII Name
9,13(R)-epoxylabd-14-ene
Definition
A tricyclic diterpenoid that is an intermediate in the biosynthesis of marrubiin by the medicinal plant
Marrubium vulgare
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C20H34O
Net Charge
0
Average Mass
290.491
Monoisotopic Mass
290.26097
InChI
InChI=1S/C20H34O/c1-
7-
18(5)
13-
14-
20(21-
18)
15(2)
9-
10-
16-
17(3,4)
11-
8-
12-
19(16,20)
6/h7,15-
16H,1,8-
14H2,2-
6H3/t15-
,16+,18+,19+,20-
/m1/s1
InChIKey
YFIVBYGSVFHTOP-XIHRTOKZSA-N
SMILES
C1CCC([C@]2([C@]1([C@@]3([C@@H](CC2)C)O[C@@](CC3)(C)C=C)C)[H])(C)C
Metabolite of Species
Details
Marrubium vulgare
(NCBI:txid41230)
See:
PubMed
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
9,13(
R
)-epoxylabd-14-ene (
CHEBI:138233
)
has role
plant metabolite (
CHEBI:76924
)
9,13(
R
)-epoxylabd-14-ene (
CHEBI:138233
)
is a
labdane diterpenoid (
CHEBI:36770
)
9,13(
R
)-epoxylabd-14-ene (
CHEBI:138233
)
is a
oxaspiro compound (
CHEBI:37948
)
9,13(
R
)-epoxylabd-14-ene (
CHEBI:138233
)
is a
tricyclic diterpenoid (
CHEBI:79084
)
IUPAC Name
(1
R
,2
R
,4a
S
,5'
R
,8a
S
)-
5'-
ethenyl-
2,5,5,5',8a-
pentamethyloctahydro-
2
H
-
spiro[naphthalene-
1,2'-
oxolane]
Synonym
Source
(13
R
)-9,13-epoxylabd-14-ene
UniProt
Manual Xref
Database
CPD-20437
MetaCyc
View more database links
Citations
Types
Sources
24990389
PubMed citation
SUBMITTER
29315936
PubMed citation
Europe PMC
Last Modified
03 December 2019