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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:32255 - Trepibutone
Main
ChEBI Ontology
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ChEBI Name
Trepibutone
ChEBI ID
CHEBI:32255
Stars
This entity has been manually annotated by a third party.
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Formulae
C16H22O6
C16H22O6
Net Charge
0
Average Mass
310.343
Monoisotopic Mass
310.14164
InChI
InChI=1S/C16H22O6/c1-
4-
20-
13-
10-
15(22-
6-
3)
14(21-
5-
2)
9-
11(13)
12(17)
7-
8-
16(18)
19/h9-
10H,4-
8H2,1-
3H3,(H,18,19)
InChIKey
YPTFHLJNWSJXKG-UHFFFAOYSA-N
SMILES
C(CCC(O)=O)(=O)C1=C(OCC)C=C(C(=C1)OCC)OCC
ChEBI Ontology
Outgoing
Trepibutone (
CHEBI:32255
)
is a
organic molecular entity (
CHEBI:50860
)
Synonyms
Sources
supacal
DrugCentral
Trepibutone
KEGG COMPOUND
trepionate
DrugCentral
Manual Xrefs
Databases
2719
DrugCentral
D01365
KEGG DRUG
View more database links
Registry Number
Type
Source
41826-92-0
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017