CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_7687 http://purl.obolibrary.org/obo/CHEBI_7687 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_7687 Loading
Preferred name	O-Methylptelefolonium
Synonyms	O-Methylptelefolonium

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	COc1cc(OC)c2[n+](C)c3OC(Cc3c(OC)c2c1)C(C)=C
obo_purl:charge	+1
obo_purl:inchikey	GZDGTOJAUNXBGU-UHFFFAOYSA-N
oboinowl_gen:hasDbXref	KNApSAcK:C00002190 CAS:52768-97-5 KEGG:C10732
skos:notation	CHEBI:7687
oboinowl_gen:hasExactSynonym	O-Methylptelefolonium
obo_purl:mass	316.372
obo_purl:inchi	InChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1
obo_purl:formula	C18H22NO4
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:7687
rdfs:label	O-Methylptelefolonium
obo_purl:monoisotopicmass	316.15433
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_38104 http://purl.obolibrary.org/obo/CHEBI_38101 http://purl.obolibrary.org/obo/CHEBI_26979

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