About: IDORIPOXLZVBMT-AEVXLQICSA-N

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About: IDORIPOXLZVBMT-AEVXLQICSA-N Goto Sponge Distinct 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)
rdfs:label	IDORIPOXLZVBMT-AEVXLQICSA-N (en)
skos:prefLabel	IDORIPOXLZVBMT-AEVXLQICSA-N (en)
name	IDORIPOXLZVBMT-AEVXLQICSA-N (en)
isomeric SMILES	wds:Q105111443-F31857AD-34BE-4132-A976-11570F4CA1AC
isomeric SMILES	COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](C)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4
instance of	wds:Q105111443-020CC96A-2E22-4E77-98EF-33C9EC607D33
instance of	type of chemical entity
subclass of	wds:Q105111443-4EAE92E6-6A67-4E55-A7B7-EB7A566B199B
subclass of	isoquinoline alkaloid
found in taxon	wds:Q105111443-89A84E25-472E-45CF-B165-E4B30C0DF6A6
found in taxon	Ecteinascidia thurstoni
canonical SMILES	wds:Q105111443-A6A7CA46-125A-4C1A-B727-EA00AE07A719
InChI	wds:Q105111443-F08BC87A-C327-4F93-8C46-ACFCB57F0B02
InChIKey	wds:Q105111443-C00528CD-7177-4FAB-9F38-87CDAD48E64D
chemical formula	wds:Q105111443-0970E7DD-3A8C-41AE-8137-3E134CF03C64
PubChem CID	wds:Q105111443-F541FB56-4C73-4A6F-8E94-9B9FB4ED77C2
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163104395
canonical SMILES	O=C(OC=1C(=C2OCOC2=C3C1C4SCC5(NCCC6=CC(O)=C(OC)C=C65)C(=O)OCC3N7C(C)C8N(C)C(C9=C(O)C(OC)=C(C=C9C8)C)C74)C)C
InChI	InChI=1S/C40H45N3O10S/c1-17-10-22-11-24-19(3)43-25-14-50-39(47)40(23-13-27(48-6)26(45)12-21(23)8-9-41-40)15-54-38(32(43)31(42(24)5)28(22)33(46)34(17)49-7)30-29(25)37-36(51-16-52-37)18(2)35(30)53-20(4)44/h10,12-13,19,24-25,31-32,38,41,45-46H,8-9,11,14-16H2,1-7H3/t19-,24-,25-,31+,32+,38+,40+/m0/s1
InChIKey	IDORIPOXLZVBMT-AEVXLQICSA-N
chemical formula	C₄₀H₄₅N₃O₁₀S
PubChem CID	163104395
mass	wds:Q105111443-1E09939A-9431-4F67-9BBC-620E73569B6B
mass	759.28256564 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105111443
is main subject of	Ecteinascidins 770 and 786 from the Thai tunicate Ecteinascidia thurstoni
is main subject of	wds:Q74378400-A368CABD-8F80-4BEF-990A-5EC2976DE3F4

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