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> Main
CHEBI:132828 - isobornyl formate
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ChEBI Name
isobornyl formate
ChEBI ID
CHEBI:132828
Definition
A bornane monoterpenoid that is isoborneol in which the hydroxy hydrogen has been replaced by a formyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Molfile
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Molfile
Formula
C11H18O2
Net Charge
0
Average Mass
182.260
Monoisotopic Mass
182.13068
InChI
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m1/s1
InChIKey
RDWUNORUTVEHJF-KKZNHRDASA-N
SMILES
[C@@H]12C([C@@](C)(CC1)[C@@H](C2)OC(=O)[H])(C)C
Metabolite of Species
Details
Cyrtopodium macrobulbon
(NCBI:txid1547852)
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
isobornyl formate (
CHEBI:132828
)
has functional parent
borneol (
CHEBI:28093
)
isobornyl formate (
CHEBI:132828
)
has role
plant metabolite (
CHEBI:76924
)
isobornyl formate (
CHEBI:132828
)
is a
bornane monoterpenoid (
CHEBI:22912
)
isobornyl formate (
CHEBI:132828
)
is a
bridged compound (
CHEBI:35990
)
isobornyl formate (
CHEBI:132828
)
is a
formate ester (
CHEBI:52343
)
IUPAC Name
rel
-(1
R
,2
R
,4
R
)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate
Synonyms
Sources
Bornyl formate
SUBMITTER
Isoborneol formate
ChemIDplus
Manual Xref
Database
WO2011117740
Patent
View more database links
Registry Numbers
Types
Sources
11326848
Reaxys Registry Number
Reaxys
1200-67-5
CAS Registry Number
ChemIDplus
1200-67-5
CAS Registry Number
NIST Chemistry WebBook
Citation
Type
Source
24818583
PubMed citation
Europe PMC
Last Modified
25 January 2017