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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4771 - Elemicin
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ChEBI Ontology
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ChEBI Name
Elemicin
ChEBI ID
CHEBI:4771
Stars
This entity has been manually annotated by a third party.
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Formula
C12H16O3
Net Charge
0
Average Mass
208.254
Monoisotopic Mass
208.10994
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChIKey
BPLQKQKXWHCZSS-UHFFFAOYSA-N
SMILES
COc1cc(CC=C)cc(OC)c1OC
ChEBI Ontology
Outgoing
Elemicin (
CHEBI:4771
)
is a
olefinic compound (
CHEBI:78840
)
Synonym
Source
Elemicin
KEGG COMPOUND
Manual Xrefs
Databases
C00002739
KNApSAcK
C10451
KEGG COMPOUND
HMDB0033778
HMDB
View more database links
Registry Number
Type
Source
487-11-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014