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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:135976 - menthyl salicylate
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ChEBI Ontology
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ChEBI Name
menthyl salicylate
ChEBI ID
CHEBI:135976
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This entity has been manually annotated by a third party.
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Formula
C17H24O3
Net Charge
0
Average Mass
276.371
Monoisotopic Mass
276.17254
InChI
InChI=1S/C17H24O3/c1-
11(2)
13-
9-
8-
12(3)
10-
16(13)
20-
17(19)
14-
6-
4-
5-
7-
15(14)
18/h4-
7,11-
13,16,18H,8-
10H2,1-
3H3/t12-
,13+,16-
/m1/s1
InChIKey
SJOXEWUZWQYCGL-DVOMOZLQSA-N
SMILES
C(C)(C)[C@H]1[C@H](OC(=O)C2=C(O)C=CC=C2)C[C@@H](CC1)C
ChEBI Ontology
Outgoing
menthyl salicylate (
CHEBI:135976
)
has functional parent
salicylic acid (
CHEBI:16914
)
menthyl salicylate (
CHEBI:135976
)
is a
benzoate ester (
CHEBI:36054
)
menthyl salicylate (
CHEBI:135976
)
is a
phenols (
CHEBI:33853
)
Synonym
Source
menthyl salicylate, (+/-)-
DrugCentral
Manual Xref
Database
4460
DrugCentral
View more database links
Registry Number
Type
Source
89-46-3
CAS Registry Number
DrugCentral
Last Modified
23 February 2017