About: alfa-Cyperone

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An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	alfa-Cyperone (en)
skos:prefLabel	alfa-Cyperone (en)
name	alfa-Cyperone (en)
MassBank accession ID	wds:Q72437046-7CBF585D-591F-4900-8A61-AE7DD1A28FC7
MassBank accession ID	MSBNK-Fac_Eng_Univ_Tokyo-JP005153
instance of	wds:Q72437046-B65182E8-8E6C-40D9-9579-819E17759023
instance of	type of chemical entity
subclass of	wds:Q72437046-64C8E779-1847-41FF-8B7E-2C2F1CE7E919 wds:Q72437046-86D61D99-B097-4E14-9B8C-0A44FEBAD96E
subclass of	(4aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one (+)-alpha-Cyperone
UniChem compound ID	wds:Q72437046-A1614D55-3F8E-490C-BD11-8A3874914330
Probes And Drugs ID	wds:Q72437046-95FA413A-692C-4DDC-9DC5-3F84473E2BC9
Human Metabolome Database ID	wds:Q72437046-B92E33AA-DC94-4AEC-8C2E-1D2B33E325A4
CAS Registry Number	wds:Q72437046-7CFAE2E9-D6CC-4873-8D56-F78D2CB319ED
canonical SMILES	wds:Q72437046-CDB8C826-6949-4F1B-90D9-4A61D83410A2
InChI	wds:Q72437046-F82DEC48-54B7-4CF5-851C-1FBCEAD09D36
InChIKey	wds:Q72437046-B18F1C7E-D732-4D2A-A494-E36518B7B3C6
chemical formula	wds:Q72437046-8586AE56-12ED-4305-A657-54B19FF58359
DSSTox substance ID	wds:Q72437046-0CFC9DC2-4BEF-49C7-A567-05DAFD20D0B7
PubChem CID	wds:Q72437046-9F5A4239-E0F1-4411-9AC8-72238FB3E402
ChEBI ID	wds:Q72437046-95A1E1B3-BC03-4F46-9718-4E641D0D20D3
DSSTOX compound identifier	wds:Q72437046-7E035F80-785E-427A-B0F5-C4615F6E2834
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID273568
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_190005
UniChem compound ID	23629030
Probes And Drugs ID	PD087593
Human Metabolome Database ID	HMDB0037061
CAS Registry Number	132983-05-2
canonical SMILES	O=C1C(=C2CC(C(=C)C)CCC2(C)CC1)C
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
InChIKey	KUFXJZXMWHNCEH-UHFFFAOYSA-N
chemical formula	C₁₅H₂₂O
DSSTox substance ID	DTXSID30297885
PubChem CID	273568
ChEBI ID	190005
DSSTOX compound identifier	DTXCID90249022
mass	wds:Q72437046-483E12F4-CBFA-4FF9-A8AE-43A5524FEA07
mass	218.167065324 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q72437046

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