About: [(1S,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] (2R)-2-methyldecanoate

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About: [(1S,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] (2R)-2-methyldecanoate Goto Sponge NotDistinct Permalink

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	[(1S,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] (2R)-2-methyldecanoate (en)
skos:prefLabel	[(1S,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] (2R)-2-methyldecanoate (en)
name	[(1S,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] (2R)-2-methyldecanoate (en)
isomeric SMILES	wds:Q105208390-D78F5EA1-D5D1-4C96-B468-E3265550CC8A
isomeric SMILES	C=C(C)[C@H](O)[C@@H](OC(=O)[C@H](C)CCCCCCCC)c1c(OC)ccc2ccc(=O)oc12
instance of	wds:Q105208390-F9F00E7D-6874-4F36-9EC5-8206A8E95D1C
instance of	type of chemical entity
subclass of	wds:Q105208390-C92B9E32-201E-48CB-A7B4-87E22CAB0D24
subclass of	biogenic coumarin
found in taxon	wds:Q105208390-FE3F909D-535E-4B5A-9C50-5CCE18167C35
found in taxon	Murraya paniculata
canonical SMILES	wds:Q105208390-1C286F49-68A8-432D-89F7-0539B4FF336A
InChI	wds:Q105208390-4FF696DA-CF76-4BD7-87DF-7D42F91D581C
InChIKey	wds:Q105208390-10D49128-88A7-45CE-AC31-D8BDD82C0A91
chemical formula	wds:Q105208390-5DF544C8-7ACE-403A-9B31-AB0C852C57C7
PubChem CID	wds:Q105208390-09969FE5-FE3C-47D8-9017-3E502B4CFD95
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162938121
canonical SMILES	O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC(=O)C(C)CCCCCCCC)C(O)C(=C)C
InChI	InChI=1S/C26H36O6/c1-6-7-8-9-10-11-12-18(4)26(29)32-25(23(28)17(2)3)22-20(30-5)15-13-19-14-16-21(27)31-24(19)22/h13-16,18,23,25,28H,2,6-12H2,1,3-5H3/t18-,23+,25+/m1/s1
InChIKey	PGHGJPPSTUHNRC-DPQOWFAMSA-N
chemical formula	C₂₆H₃₆O₆
PubChem CID	162938121
mass	wds:Q105208390-B2AB4A0E-4F8A-4552-AA08-815D57824632
mass	444.251188872 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105208390
is main subject of	Paniculacin, a new coumarin derivative from Murraya paniculata
is main subject of	wds:Q84550824-B129E56C-FE14-4735-B3AE-C1236E6F5149

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