Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Preferred Name	tretoquinol
Synonyms	(S)-Trimetoquinol L-Tretoquinol
ID	http://purl.obolibrary.org/obo/CHEBI_135461
charge	0
database_cross_reference	CAS:30418-38-3 Drug_Central:2723
formula	C19H23NO5
has_obo_namespace	chebi_ontology
has_related_synonym	(S)-Trimetoquinol L-Tretoquinol
id	CHEBI:135461
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/t14-/m0/s1
inchikey	RGVPOXRFEPSFGH-AWEZNQCLSA-N
label	tretoquinol
mass	345.390
monoisotopicmass	345.15762
notation	CHEBI:135461
prefLabel	tretoquinol
smiles	C(C1=CC(OC)=C(C(=C1)OC)OC)[C@H]2C=3C(=CC(=C(C3)O)O)CCN2
subClassOf	http://purl.obolibrary.org/obo/CHEBI_24922

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_135461	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_135461	CHEBI	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.438.531.085.888	RH-MESH	LOOM
http://purl.bioontology.org/ontology/MESH/D014213	MESH	LOOM
http://purl.bioontology.org/ontology/ATC/R03CC09	ATC	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66629	NCIT	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017761	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/ATC/R03AC09	ATC	LOOM
https://go.drugbank.com/drugs/DB13692	MDM	LOOM
http://purl.obolibrary.org/obo/OMIT_0015052	OMIT	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D014213	RH-MESH	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/708662002	SNOMEDCT	LOOM