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(Q72437046)
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alfa-Cyperone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
1 reference
based on heuristic
inferred from SMILES
(+)-alpha-Cyperone
1 reference
based on heuristic
inferred from SMILES
mass
218.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O
0 references
canonical SMILES
O=C1C(=C2CC(C(=C)C)CCC2(C)CC1)C
0 references
Identifiers
InChI
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3
0 references
InChIKey
KUFXJZXMWHNCEH-UHFFFAOYSA-N
0 references
CAS Registry Number
132983-05-2
0 references
PubChem CID
273568
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KUFXJZXMWHNCEH-UHFFFAOYSA-N
ChEBI ID
190005
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3
UniChem compound ID
23629030
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP005153
0 references
DSSTox substance ID
DTXSID30297885
0 references
DTXSID901141898
1 reference
matched by identifier from
InChIKey
InChIKey
KUFXJZXMWHNCEH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90249022
0 references
Human Metabolome Database ID
HMDB0037061
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KUFXJZXMWHNCEH-UHFFFAOYSA-N
Probes And Drugs ID
PD087593
0 references
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