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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32304 - 2-
cis
,4-
trans
-xanthoxin
Main
ChEBI Ontology
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Models
ChEBI Name
2-
cis
,4-
trans
-xanthoxin
ChEBI ID
CHEBI:32304
ChEBI ASCII Name
2-cis,4-trans-xanthoxin
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H22O3
Net Charge
0
Average Mass
250.33338
Monoisotopic Mass
250.15689
InChI
InChI=1S/C15H22O3/c1-
11(6-
8-
16)
5-
7-
15-
13(2,3)
9-
12(17)
10-
14(15,4)
18-
15/h5-
8,12,17H,9-
10H2,1-
4H3/b7-
5+,11-
6-
/t12-
,14+,15-
/m0/s1
InChIKey
ZTALKMXOHWQNIA-TVBSHJCBSA-N
SMILES
CC(\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O
Metabolite of Species
Details
Pueraria montana
(NCBI:txid132459)
Found in leaf
(BTO:0000713)
. See:
PubMed
Roles Classification
Biological Role
(s):
plant growth retardant
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
2-
cis
,4-
trans
-xanthoxin (
CHEBI:32304
)
has role
plant growth retardant (
CHEBI:35219
)
2-
cis
,4-
trans
-xanthoxin (
CHEBI:32304
)
has role
plant metabolite (
CHEBI:76924
)
2-
cis
,4-
trans
-xanthoxin (
CHEBI:32304
)
is a
apo carotenoid sesquiterpenoid (
CHEBI:36758
)
2-
cis
,4-
trans
-xanthoxin (
CHEBI:32304
)
is a
enal (
CHEBI:51688
)
IUPAC Name
(2
Z
,4
E
)-
5-
[(1
S
,4
S
,6
R
)-
4-
hydroxy-
2,2,6-
trimethyl-
7-
oxabicyclo[4.1.0]hept-
1-
yl]-
3-
methylpenta-
2,4-
dienal
Synonyms
Sources
2-
cis
,4-
trans
-xanthoxin
UniProt
2-cis,4-trans-Xanthoxin
KEGG COMPOUND
Xanthoxin
KEGG COMPOUND
Manual Xrefs
Databases
C00007240
KNApSAcK
C13453
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
26932-58-1
CAS Registry Number
KEGG COMPOUND
8066-07-7
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
12809718
PubMed citation
Europe PMC
Last Modified
08 April 2016