About: [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(2,3-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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About: [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(2,3-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 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)
rdfs:label	[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(2,3-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (en)
skos:prefLabel	[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(2,3-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (en)
name	[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(2,3-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (en)
isomeric SMILES	wds:Q105229281-AE1F0C60-4374-4740-964C-14C252851574
isomeric SMILES	CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](CO)O[C@H]1OCCc1cccc(O)c1O
instance of	wds:Q105229281-279B2712-32A4-47EA-B5FA-12875B8FC092
instance of	type of chemical entity
subclass of	wds:Q105229281-AD732EA0-5B37-4BCE-9791-5B246591CED8
subclass of	[5-Acetyloxy-6-[2-(2,3-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
found in taxon	wds:Q105229281-489EB97B-7A1E-4870-8F17-F97448F9B025
found in taxon	Rehmannia glutinosa
canonical SMILES	wds:Q105229281-90F16223-DCDB-4C82-9E00-255A33ABDF88
InChI	wds:Q105229281-44A1E638-CCDE-42B2-8A92-74D9137254D9
InChIKey	wds:Q105229281-D1F7E706-0706-4629-9288-FFC9C2B8CD8C
chemical formula	wds:Q105229281-3188C15E-64EF-4709-9C81-9197F86B9A47
PubChem CID	wds:Q105229281-6BD5B4BC-92A6-499B-BAB9-B0D7D86A7E32
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163194447
canonical SMILES	O=C(OC1C(OC(OCCC=2C=CC=C(O)C2O)C(OC(=O)C)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4
InChI	InChI=1S/C31H38O16/c1-14-23(38)25(40)26(41)30(43-14)47-28-27(46-22(37)9-7-16-6-8-18(34)20(36)12-16)21(13-32)45-31(29(28)44-15(2)33)42-11-10-17-4-3-5-19(35)24(17)39/h3-9,12,14,21,23,25-32,34-36,38-41H,10-11,13H2,1-2H3/b9-7+/t14-,21+,23-,25+,26+,27+,28-,29+,30-,31+/m0/s1
InChIKey	QWMQZQPAPQHIFD-NYMRDAGRSA-N
chemical formula	C₃₁H₃₈O₁₆
PubChem CID	163194447
mass	wds:Q105229281-89DD56F1-3780-4CAA-A994-1DCEB6C42433
mass	666.215985136 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105229281
is main subject of	Six iridoid glycosides from Rehmannia glutinosa
is main subject of	wds:Q104391702-D355FE13-7979-4AE4-8887-D768BE26CCC2

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