CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_89609 http://purl.obolibrary.org/obo/CHEBI_89609 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_89609 Loading
Preferred name	O-methoxycatechol-O-sulphate
Synonyms	(2-methoxyphenyl)oxidanesulfonic acid 2-Methoxyphenyl hydrogen sulphate (2-methoxyphenyl) hydrogen sulfate 2-Methoxyphenyl hydrogen sulfate (2-methoxyphenyl) hydrogen sulphate

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	C=1(C=CC=CC1OC)OS(=O)(=O)O
obo_purl:charge	0
obo_purl:inchikey	AQTYXAPIHMXAAV-UHFFFAOYSA-N
oboinowl_gen:hasDbXref	HMDB:HMDB0060013 PMID:22827565
skos:notation	CHEBI:89609
obo_purl:mass	204.202
obo_purl:inchi	InChI=1S/C7H8O5S/c1-11-6-4-2-3-5-7(6)12-13(8,9)10/h2-5H,1H3,(H,8,9,10)
obo_purl:formula	C7H8O5S
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	(2-methoxyphenyl)oxidanesulfonic acid 2-Methoxyphenyl hydrogen sulphate (2-methoxyphenyl) hydrogen sulfate 2-Methoxyphenyl hydrogen sulfate (2-methoxyphenyl) hydrogen sulphate
oboinowl_gen:id	CHEBI:89609
rdfs:label	O-methoxycatechol-O-sulphate
obo_purl:monoisotopicmass	204.00924
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_51683

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