About: [(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate

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About: [(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate 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	composto chimico (it) химическое соединение (ru) chemical compound (en) composé chimique (fr) תרכובת (he) kemisk forbindelse (da) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemická sloučenina (cs) chemická zlúčenina (sk) chemische verbinding (nl) kemia kombinaĵo (eo) związek chemiczny (pl) chemical compound (en-ca) chemical compound (en-gb) chemiese verbinding (af) chemische Verbindung (de-ch) component quimic (oc) compost químic (ca) composto químico (gl) composto químico (pt) composto químico (pt-br) compuesto quimico (an) compuestu químicu (ast) compus chimic (ro) kemiallinen yhdiste (fi) kjemisk forbindelse (nb) kjemisk sambinding (nn) komponim kimik (sq) konposatu kimiko (eu) senyawa kimia (id) ķīmisks savienojums (lv) хімічна сполука (uk) مركب كيميائي (ar) রাসায়নিক যৌগ (bn) compuesto químico (es) payvastagii khimiyaviy (tg-latn) пайвастагии химиявӣ (tg-cyrl) chemesch Verbindung (lb)
rdfs:label	[(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate (en)
skos:prefLabel	[(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate (en)
name	[(1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate (en)
isomeric SMILES	wds:Q104997320-F7B17E67-6D2D-4346-A611-1C303D9EC80F
stereoisomer of	wds:Q104997320-587B98E8-DF03-4328-B59B-944EF876BA44 wds:Q104997320-D16C5CCD-BCE0-461A-B65F-BC7E054F3166 wds:Q104997320-E806FECA-87F1-4D6F-A690-20A1A759D2D3 wds:Q104997320-FDB95080-2B09-4FDC-A3A5-9DAB4A17E64F
isomeric SMILES	CC(=O)O[C@@]1(C)C[C@@H](O)[C@H]2C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]21
stereoisomer of	[(1R,4aS,5S,7R,7aR)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate CID 9865184 [(1S,4aR,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
instance of	wds:Q104997320-0833B6F5-1D54-4653-B652-FD32A35AF87A
instance of	type of chemical entity
subclass of	wds:Q104997320-30613113-FA01-46F6-9C3B-7D6CD1E5E72E wds:Q104997320-84DD1324-D2CC-40E0-A2C4-E885EBD02F72 wds:Q104997320-F78A8AE2-2D06-42A2-8792-B616D372CA3B
subclass of	[5-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate (1S,4aS,5R,7S,7aS)-5-hydroxy-7-methyl-1-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-7-yl acetate (1S,4aR,7S,7aS)-5-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-7-yl acetate
found in taxon	wds:Q104997320-277BF14F-A6A6-44B4-BE47-E90303205B10 wds:Q104997320-38A8301D-392C-4DDA-89F2-8EFC996CE3E6 wds:Q104997320-4A4B8C28-D304-425B-9B1B-F157FF36D373
found in taxon	Leonurus cardiaca Leonurus persicus Scrophularia deserti
UniChem compound ID	wds:Q104997320-37EE11ED-4775-448F-8416-F717C3DBE6EF
canonical SMILES	wds:Q104997320-C71ED699-27A5-4681-AA84-793E5D00C43A
InChI	wds:Q104997320-135247D8-9320-458D-AEA5-AE53FD1783B6
InChIKey	wds:Q104997320-46668171-A102-4948-BBF8-CCEAE52F594E
chemical formula	wds:Q104997320-36A004B6-441E-4F0B-BEA1-A557A8E6FFCA
PubChem CID	wds:Q104997320-B03026CB-4707-4674-AD7E-72C5540636D3
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID154496126
UniChem compound ID	185783212
canonical SMILES	O=C(OC1(C)CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)C
InChI	InChI=1S/C17H26O10/c1-7(19)27-17(2)5-9(20)8-3-4-24-15(11(8)17)26-16-14(23)13(22)12(21)10(6-18)25-16/h3-4,8-16,18,20-23H,5-6H2,1-2H3/t8-,9-,10+,11-,12-,13-,14+,15+,16-,17+/m1/s1
InChIKey	FLOXQRMTDDOZKF-OEBNIQCASA-N
chemical formula	C₁₇H₂₆O₁₀
PubChem CID	154496126
mass	wds:Q104997320-494D463B-A3D7-44AC-B3CF-626BB28F8E3E
mass	390.152597032 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104997320
is stereoisomer of of	[(1R,4aS,5S,7R,7aR)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate CID 9865184 [(1S,4aR,5R,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate [(1S,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
is stereoisomer of of	wds:Q104997313-310B17D1-B17D-4CD9-AC54-F77C4B91D0B1 wds:Q104997315-444E284A-3626-4061-8A90-01D21FD14E1E wds:Q110179949-D0154423-2497-47A5-84D1-7C407ED62E1D wds:Q104997317-D13FE0C9-0A56-4A67-9A0D-9983D1BD30E4
is main subject of	Antimicrobial constituents of Scrophularia deserti Iridoid glycosides of Leonurus persicus Naturstoffe aus Arzneipflanzen, XVIII1) Isolierung und Konstitutionsaufklärung eines neuen C15-Iridoidglucosids ausLeonurus cardiaca L.
is main subject of	wds:Q104997319-4BC739D9-A5A5-4949-9763-3DCFF31C576D wds:Q79782502-ADE7C233-ED4A-43B9-B1B2-EA014E398A9B wds:Q77966869-E40ED0EA-2420-4FC4-8FB6-2B784EBD8379

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