About: AI 3-27547

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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	AI 3-27547 (en)
skos:prefLabel	AI 3-27547 (en)
name	AI 3-27547 (en)
isomeric SMILES	wds:Q83027494-DC55D14A-D81D-4B7C-AB14-01EB4D77C9F0
stereoisomer of	wds:Q83027494-BDCFF84F-B91B-4DB8-A7E9-567EF45E6D12
isomeric SMILES	CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC4=O
stereoisomer of	(11R,12aR)-11-Methoxy-1,3,4,5,8,10,11,12-octahydro-7H-furo[3',4':3,4]pyrido[2,1-i]indole-1-one
instance of	wds:Q83027494-2FBBBC32-116A-4262-894B-7B1C0B52EFBF
instance of	type of chemical entity
subclass of	wds:Q83027494-6EE3FAD1-CF07-4B33-818F-5FEE162826A7
subclass of	Cocculolidine
found in taxon	wds:Q83027494-358ADF49-F4D2-4079-B4DB-6A484CB442D1 wds:Q83027494-7E767FD7-117F-412B-AA93-155EAC9F7856
found in taxon	Cocculus orbiculatus Cocculus trilobus
UniChem compound ID	wds:Q83027494-C3CD358D-EDDD-4027-9D5F-01C90D6853EE
CAS Registry Number	wds:Q83027494-60179AB8-1645-4F55-B94B-A0DE57879A8A
canonical SMILES	wds:Q83027494-996D9B91-04FC-4318-8D03-9554E2046E35
InChI	wds:Q83027494-8B5CA787-E8C8-4425-ABA0-DB4F2CD6B933
InChIKey	wds:Q83027494-3C77A1B7-B863-4AEC-8014-45DB36C3755C
chemical formula	wds:Q83027494-0EF9BA8E-AB59-42D1-9F18-D24ED4FC0F51
DSSTox substance ID	wds:Q83027494-09024753-998A-4DEF-B8A9-F1B4103499FF
PubChem CID	wds:Q83027494-33C39D0A-30FF-4FEA-9DEE-01CCFEBE0631
DSSTOX compound identifier	wds:Q83027494-C90F2831-297B-4BE7-AACE-8296D95B3427
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID3084154
UniChem compound ID	33208470
CAS Registry Number	13497-04-6
canonical SMILES	O=C1OCC2=C1C34C(=CCC(OC)C3)CCN4CC2
InChI	InChI=1S/C15H19NO3/c1-18-12-3-2-11-5-7-16-6-4-10-9-19-14(17)13(10)15(11,16)8-12/h2,12H,3-9H2,1H3/t12-,15-/m0/s1
InChIKey	QVOZBDJFWDSZQW-WFASDCNBSA-N
chemical formula	C₁₅H₁₉NO₃
DSSTox substance ID	DTXSID90159172
PubChem CID	3084154
DSSTOX compound identifier	DTXCID7081663
mass	wds:Q83027494-8CDF4395-5DF8-4EFB-84C2-31B903B6404C
mass	261.136493468 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q83027494
is stereoisomer of of	(11R,12aR)-11-Methoxy-1,3,4,5,8,10,11,12-octahydro-7H-furo[3',4':3,4]pyrido[2,1-i]indole-1-one
is stereoisomer of of	wds:Q105228799-ACA7703F-BB54-47C0-85C4-8E1071F05E56
is main subject of	Alkaloids of Cocculus trilobus DC. Isolation and structure of erythrinan alkaloids (author's transl)
is main subject of	wds:Q67427155-3028ED26-5CFF-4D9A-8C87-AE0EA2410D0B

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