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(Q82105927)
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English
Butanoic acid, 2-methyl-, 4-methoxy-2-(3-methyloxiranyl)phenyl ester
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C(OC1=CC=C(OC)C=C1C2OC2C)C(C)CC
0 references
found in taxon
Pimpinella corymbosa
1 reference
stated in
Antimicrobial compounds from Pimpinella species growing in Turkey.
Identifiers
InChI
InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3
0 references
InChIKey
VXWVNVFBEJTTKA-UHFFFAOYSA-N
0 references
CAS Registry Number
97180-28-4
1 reference
InChIKey
VXWVNVFBEJTTKA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=97180-28-4
PubChem CID
545130
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
VXWVNVFBEJTTKA-UHFFFAOYSA-N
ChEBI ID
174474
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h6-10,14H,5H2,1-4H3
UniChem compound ID
31999187
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10337854
1 reference
matched by identifier from
InChIKey
InChIKey
VXWVNVFBEJTTKA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40288941
0 references
Human Metabolome Database ID
HMDB0035805
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VXWVNVFBEJTTKA-UHFFFAOYSA-N
KNApSAcK ID
C00058290
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VXWVNVFBEJTTKA-UHFFFAOYSA-N
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