CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_168424 http://purl.obolibrary.org/obo/CHEBI_168424 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_168424 Loading
Preferred name	o-O-glucuronide rosiglitazone
Synonyms	6-[2-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]pyridin-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	S1C(CC2=CC=C(OCCN(C=3N=CC=CC3OC4OC(C(O)C(O)C4O)C(O)=O)C)C=C2)C(=O)NC1=O
obo_purl:charge	0
obo_purl:inchikey	YDRMOALONMVDNG-UHFFFAOYSA-N
oboinowl_gen:hasDbXref	Chemspider:74886498 HMDB:HMDB0060857
skos:notation	CHEBI:168424
oboinowl_gen:hasExactSynonym	6-[2-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]pyridin-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
obo_purl:mass	549.550
obo_purl:inchi	InChI=1S/C24H27N3O10S/c1-27(9-10-35-13-6-4-12(5-7-13)11-15-21(31)26-24(34)38-15)20-14(3-2-8-25-20)36-23-18(30)16(28)17(29)19(37-23)22(32)33/h2-8,15-19,23,28-30H,9-11H2,1H3,(H,32,33)(H,26,31,34)
obo_purl:formula	C24H27N3O10S
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:168424
rdfs:label	o-O-glucuronide rosiglitazone
obo_purl:monoisotopicmass	549.14172
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24302

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