About: KAKUZTRQMKJXIH-BRKNMKEHSA-N

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About: KAKUZTRQMKJXIH-BRKNMKEHSA-N Goto Sponge NotDistinct Permalink

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

group of stereoisomers with the chemical formula C₄₅H₇₃N₇O₁₉S

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) група стереоізомерів з хімічною формулою C₄₅H₇₃N₇O₁₉S (uk) group of stereoisomers with the chemical formula C₄₅H₇₃N₇O₁₉S (en)
rdfs:label	KAKUZTRQMKJXIH-BRKNMKEHSA-N (en)
skos:prefLabel	KAKUZTRQMKJXIH-BRKNMKEHSA-N (en)
name	KAKUZTRQMKJXIH-BRKNMKEHSA-N (en)
isomeric SMILES	wds:Q110168910-CA11332E-4CEF-4019-ACFA-FEE82E431159
isomeric SMILES	CCCCCC(=O)OCC1OC(OC2CC3C(O)C4(C2)OC(=O)NC4C(C(=O)NCCC2=CCN(C(=N)N)C2)N3C(=O)[C@H](NC(=O)C(COS(=O)(=O)O)OC)[C@@H](C)CC)C(OC(=O)CCCCC)C(O)C1O
instance of	wds:Q110168910-8F225868-F543-4E7D-917A-2AF00BB22397
instance of	group of stereoisomers
subclass of	wds:Q110168910-C71633B2-C438-4BC4-B297-2995F3EE8D3C
subclass of	chemical substance
canonical SMILES	wds:Q110168910-67E1C285-4D0F-44F4-A3B3-AFADCE5D0499
InChI	wds:Q110168910-560F8013-541F-49F9-A6EC-E15988AE7DDD
InChIKey	wds:Q110168910-457032FA-DBE9-4F6B-B504-5CBD1B435A43
chemical formula	wds:Q110168910-8C0DA510-C819-49C0-BCFD-5BC8422E4D33
PubChem CID	wds:Q110168910-C7466C5D-F3B9-441F-8595-CCBAB6575F98
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID156580589
canonical SMILES	O=C1OC23CC(OC4OC(COC(=O)CCCCC)C(O)C(O)C4OC(=O)CCCCC)CC(N(C(=O)C(NC(=O)C(OC)COS(=O)(=O)O)C(C)CC)C(C(=O)NCCC5=CCN(C(=N)N)C5)C2N1)C3O
InChI	InChI=1S/C45H73N7O19S/c1-6-9-11-13-30(53)66-22-28-34(55)35(56)36(70-31(54)14-12-10-7-2)42(69-28)68-26-19-27-38(57)45(20-26)37(50-44(61)71-45)33(40(59)48-17-15-25-16-18-51(21-25)43(46)47)52(27)41(60)32(24(4)8-3)49-39(58)29(65-5)23-67-72(62,63)64/h16,24,26-29,32-38,42,55-57H,6-15,17-23H2,1-5H3,(H3,46,47)(H,48,59)(H,49,58)(H,50,61)(H,62,63,64)/t24-,26?,27?,28?,29?,32+,33?,34?,35?,36?,37?,38?,42?,45?/m0/s1
InChIKey	KAKUZTRQMKJXIH-BRKNMKEHSA-N
chemical formula	C₄₅H₇₃N₇O₁₉S
PubChem CID	156580589
mass	wds:Q110168910-EABFE77B-93BB-410E-A8DD-1C54E838C2DD
mass	1047.4681941160004 (xsd:decimal)
Natural Product Atlas ID	wds:Q110168910-6D8B0F09-B1D5-42E2-B760-6ECDA516F3F0
Natural Product Atlas ID	NPA027268
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q110168910
is subclass of of	Suomilide
is subclass of of	wds:Q104203239-5D1F45CE-F662-482E-8BB9-4211DAF75747

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