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(Q82948017)
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English
3,6-Dimethyl-7a-hydroxy-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
182.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₄O₃
0 references
canonical SMILES
O=C1OC2(O)C(=C1C)CCC(C)C2
0 references
found in taxon
Mentha piperita
1 reference
stated in
Zur Kenntnis des Pfefferminzöls. Vorkommen von Jasmon im ätherischen Öl von Mentha piperita L
Identifiers
InChI
InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
0 references
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
0 references
CAS Registry Number
514-93-2
1 reference
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=514-93-2
PubChem CID
156203
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
ChEBI ID
178176
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3
SureChEMBL ID
SCHEMBL6757027
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
UniChem compound ID
26199296
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30965714
1 reference
matched by identifier from
InChIKey
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID201393377
0 references
Human Metabolome Database ID
HMDB0038181
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
UNII
43A7SQ7ZFR
1 reference
matched by identifier from
InChIKey
InChIKey
LBNWZGLSMCTAQB-UHFFFAOYSA-N
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