About: LJTZHPOCAFXOEY-NFBYKQJLSA-N

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About: LJTZHPOCAFXOEY-NFBYKQJLSA-N 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) cheemsch Verbinnen (nds)
rdfs:label	LJTZHPOCAFXOEY-NFBYKQJLSA-N (en)
skos:prefLabel	LJTZHPOCAFXOEY-NFBYKQJLSA-N (en)
name	LJTZHPOCAFXOEY-NFBYKQJLSA-N (en)
isomeric SMILES	wds:Q104664566-F2A96EC0-F562-4B0B-9353-708967D09D89
isomeric SMILES	C[C@H]([C@H]1C[C@@H]2C[C@@](C)(OC2(C)C)[C@H](CC[C@@H](C)[C@H]2CC[C@H]3C4=C(CC[C@@]32C)[C@@]2(C)C[C@H](O)C(=O)C(C)(C)[C@@H]2[C@@H](OS(=O)(=O)O)C4)O1)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]12CO[C@@](O)([C@@H](O)C1)C(C)(C)[C@@H]2[C@@H](OS(=O)(=O)O)C3
instance of	wds:Q104664566-5D1B46C4-B5AD-4519-A976-CC7BE545C63B
instance of	type of chemical entity
subclass of	wds:Q104664566-E781607F-AEE0-4F83-8685-C2DB7D90E158
subclass of	chemical substance
found in taxon	wds:Q104664566-A5B411A8-EC76-4FB5-B3FC-216E7432BDE9 wds:Q104664566-CEB1A286-7790-4413-9925-389A53039685
found in taxon	Crella Cliona
UniChem compound ID	wds:Q104664566-AD5CEB4B-2664-493A-8212-21AE35AE91F7
canonical SMILES	wds:Q104664566-04045539-BB94-4AFF-BEB3-CCC31BDD1682
InChI	wds:Q104664566-2DB8CB7A-008B-495A-92C7-FA4A68F0307A
InChIKey	wds:Q104664566-CD7297AC-A646-456D-AD7E-038F647D1587
chemical formula	wds:Q104664566-4BD428E2-3E54-49FB-8C32-934E061EB818
PubChem CID	wds:Q104664566-8E0CE236-A06F-47C6-A4C3-5DF69AAC2744
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID20055854
UniChem compound ID	68473744
canonical SMILES	O=C1C(O)CC2(C3=C(CC(OS(=O)(=O)O)C2C1(C)C)C4CCC(C(C)CCC5OC(CC6CC5(OC6(C)C)C)C(C)C7CCC8C9=C(CCC87C)C%10%11COC(O)(C(O)C%10)C(C)(C)C%11C(OS(=O)(=O)O)C9)C4(C)CC3)C
InChI	InChI=1S/C58H90O15S2/c1-30(35-14-16-37-33-24-43(71-74(63,64)65)47-50(3,4)49(61)41(59)27-55(47,11)39(33)19-21-53(35,37)9)13-18-46-56(12)26-32(52(7,8)73-56)23-42(70-46)31(2)36-15-17-38-34-25-44(72-75(66,67)68)48-51(5,6)58(62)45(60)28-57(48,29-69-58)40(34)20-22-54(36,38)10/h30-32,35-38,41-48,59-60,62H,13-29H2,1-12H3,(H,63,64,65)(H,66,67,68)/t30-,31+,32-,35-,36-,37+,38+,41+,42-,43+,44+,45+,46+,47+,48+,53-,54-,55-,56-,57+,58+/m1/s1
InChIKey	LJTZHPOCAFXOEY-NFBYKQJLSA-N
chemical formula	C₅₈H₉₀O₁₅S₂
PubChem CID	20055854
mass	wds:Q104664566-0D0145CD-0583-4ADD-9119-067DEBC8A24F
mass	1090.57211418 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104664566
is main subject of	Isolation and Structural Elucidation of Crellastatins B–H: Cytotoxic Bis(steroid) Derivatives from the Vanuatu Marine SpongeCrella sp. Isolation and structural elucidation of the crellastatins I-M: cytotoxic bis-steroid derivatives from the vanuatu marine sponge Crella sp
is main subject of	wds:Q57596490-28BFE8D8-6A3D-44C7-955A-E47D1311F4EF wds:Q104664495-A7CAE36C-28EC-4F77-9AFD-3A823E967A75

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