About: [(1R,3R,4R,5R,6R,7S,11R)-3,4,6-trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate

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About: [(1R,3R,4R,5R,6R,7S,11R)-3,4,6-trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate 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	[(1R,3R,4R,5R,6R,7S,11R)-3,4,6-trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate (en)
skos:prefLabel	[(1R,3R,4R,5R,6R,7S,11R)-3,4,6-trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate (en)
name	[(1R,3R,4R,5R,6R,7S,11R)-3,4,6-trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl]methyl benzoate (en)
isomeric SMILES	wds:Q104968557-2766FB90-4437-44AE-9E6B-DA7589FE2E10
isomeric SMILES	C[C@@H]1C[C@@H]2OC(=O)C[C@]13C[C@@H](O)[C@](C)(O)[C@@](C)(COC(=O)c1ccccc1)[C@@]23O
instance of	wds:Q104968557-8E4B2D4C-DA51-43A7-8933-EFC16966B6F6
instance of	type of chemical entity
subclass of	wds:Q104968557-EFC88F92-BE8B-4809-B415-1563482F9EDD
subclass of	(3,4,6-Trihydroxy-4,5,11-trimethyl-9-oxo-8-oxatricyclo[5.3.2.01,6]dodecan-5-yl)methyl benzoate
found in taxon	wds:Q104968557-327B988A-9244-4473-86A3-9A3EFCD35931 wds:Q104968557-5DA45B7A-5291-4DAB-8352-1171A2DFCAEC
found in taxon	Illicium floridanum Illicium dunnianum
UniChem compound ID	wds:Q104968557-8761910A-F134-44B8-A946-4A9D7D54F4B9
canonical SMILES	wds:Q104968557-CD25E6F4-40A9-4931-9B1C-0CE8E23C6E5B
InChI	wds:Q104968557-41E8EAF3-CEDB-48A4-B2F3-543145610A5B
InChIKey	wds:Q104968557-5B94D903-DE57-40DD-9BA2-418C9135E3BC
chemical formula	wds:Q104968557-97D80900-8695-41DB-8A05-943A8409C9C3
PubChem CID	wds:Q104968557-AF6A0B89-C16E-4D88-872D-F0F3AF1FE0F2
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10597351
UniChem compound ID	33485387
canonical SMILES	O=C(OCC1(C)C(O)(C)C(O)CC23CC(=O)OC(CC2C)C13O)C=4C=CC=CC4
InChI	InChI=1S/C22H28O7/c1-13-9-16-22(27)19(2,12-28-18(25)14-7-5-4-6-8-14)20(3,26)15(23)10-21(13,22)11-17(24)29-16/h4-8,13,15-16,23,26-27H,9-12H2,1-3H3/t13-,15-,16+,19-,20+,21-,22+/m1/s1
InChIKey	CRIUJHLQSLFERL-HIEWHMGZSA-N
chemical formula	C₂₂H₂₈O₇
PubChem CID	10597351
mass	wds:Q104968557-2946936B-B96B-4AB5-9AE5-20E19428F7E0
mass	404.183503236 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104968557
is main subject of	Revision of the Structure of Dunnianin and Related Sesquiterpene Lactones fromIlliciumSpecies New pseudoanisatin-like sesquiterpene lactones from the bark of Illicium dunnianum New Sesquiterpene Lactones from Illicium floridanum
is main subject of	wds:Q64387646-C9F80E91-E7E7-4E06-9B7D-207B08D6C710 wds:Q74457271-7DB04A4B-FA26-4120-A886-FBE3248947FC wds:Q104968556-D3236B8A-CB7C-4589-9750-F2C7FA3494B2

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