EFO | Classes | LIRMM StagePortal

ID	http://purl.obolibrary.org/obo/CHEBI_185922 http://purl.obolibrary.org/obo/CHEBI_185922 https://stageportal.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
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
rdfs:label	Isoferulic acid 3-O-glucuronide
charge	0
generalized_empirical_formula	C16H18O10
inchi_key_string	SHJZLGVIOYFHCB-MBAOVNHDSA-N
inchi_string	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
mass	370.31
monoisotopic_mass	370.09
smiles_string	COc1ccc(/C=C/C(=O)O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
has_role	http://purl.obolibrary.org/obo/CHEBI_25435 Loading
oboinowl_gen:hasDbXref	MESH:C001943 chemspider:30777633 hmdb:HMDB0041747
oboinowl_gen:hasRelatedSynonym	(2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:185922
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi/2_STAR Loading

Subject	Author	Type	Created
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