EFO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_185922 http://purl.obolibrary.org/obo/CHEBI_185922 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_185922 Loading
Preferred name	Isoferulic acid 3-O-glucuronide
Synonyms	(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24431 Loading
rdfs:label	Isoferulic acid 3-O-glucuronide
skos:notation	CHEBI:185922
oboinowl_gen:hasExactSynonym	(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
oboinowl_gen:hasDbXref	Chemspider:30777633 HMDB:HMDB0041747 MESH:C001943
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:185922
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR Loading
has_role	http://purl.obolibrary.org/obo/CHEBI_25435 Loading
obo_purl:charge	0
obo_purl:formula	C16H18O10
obo_purl:inchi	InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
obo_purl:inchikey	SHJZLGVIOYFHCB-MBAOVNHDSA-N
obo_purl:mass	370.310
obo_purl:monoisotopicmass	370.09000
obo_purl:smiles	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=CC(=C2)/C=C/C(O)=O)C(O)=O

Subject	Author	Type	Created
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