About: Mussaendoside Q

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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	Mussaendoside Q (en)
skos:prefLabel	Mussaendoside Q (en)
name	Mussaendoside Q (en)
isomeric SMILES	wds:Q104907922-2546B6FC-ACED-4E95-A6D8-7DFD4B48AB30
isomeric SMILES	C/C(=C\C=C\[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12CO)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(=O)N[C@@H]1C(=O)O[C@H](C)[C@@H]1C
instance of	wds:Q104907922-E8352E4B-E6B4-4E82-81EA-DEF052A11C13
instance of	type of chemical entity
subclass of	wds:Q104907922-8E242EEB-4836-4C42-8794-A6B09EB22C53
subclass of	lanostane triterpenoid
found in taxon	wds:Q104907922-94785E20-7947-4492-A6F4-92C164F4AABD
found in taxon	Mussaenda pubescens
UniChem compound ID	wds:Q104907922-19184474-F95C-4DFC-8584-2260D79693AA
canonical SMILES	wds:Q104907922-D52B028A-F777-48CD-AA68-2154C47155C0
InChI	wds:Q104907922-3101CB06-70A4-43D3-A436-0493E70EEE4C
InChIKey	wds:Q104907922-D02C0EA5-741C-479C-B089-CC7056269070
chemical formula	wds:Q104907922-B5A791C3-9BD7-4C27-A3C6-1B4387C6E163
PubChem CID	wds:Q104907922-2F0A3169-5B49-49EF-99F1-01B8EF69BB99
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID101682155
UniChem compound ID	96930558
canonical SMILES	CC(=CC=CC(C)C1CCC2(C)C3=C(CCC12CO)C1(C)CCC(OC2OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(C)(C)C1CC3)C(=O)NC1C(=O)OC(C)C1C
InChI	InChI=1S/C60H95NO23/c1-25(12-11-13-26(2)51(74)61-38-27(3)28(4)76-52(38)75)31-16-20-59(10)33-14-15-36-57(7,8)37(18-19-58(36,9)32(33)17-21-60(31,59)24-64)81-55-50(47(73)48(35(23-63)80-55)82-53-45(71)42(68)39(65)29(5)77-53)84-56-49(44(70)41(67)34(22-62)79-56)83-54-46(72)43(69)40(66)30(6)78-54/h11-13,25,27-31,34-50,53-56,62-73H,14-24H2,1-10H3,(H,61,74)/b12-11+,26-13+/t25-,27+,28-,29+,30+,31-,34-,35-,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,49-,50-,53+,54+,55+,56+,58-,59+,60+/m1/s1
InChIKey	AAGKUIHVUGOTOT-SAPSSQHOSA-N
chemical formula	C₆₀H₉₅NO₂₃
PubChem CID	101682155
mass	wds:Q104907922-329050E3-AEF7-467E-B143-A279DFD319C9
mass	1197.6294883 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104907922
is main subject of	New triterpenoid saponins from Mussaenda pubescens
is main subject of	wds:Q72150661-95F924CB-B472-4BFD-B32A-39AC62206F1C

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