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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_81067
http://purl.obolibrary.org/obo/CHEBI_81067
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_81067
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Preferred name
o-Methylpsychotrine
Synonyms
1',2'-Dehydroemetin
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2cc(OC)c(OC)cc12
obo_purl:charge
0
obo_purl:inchikey
FBRKYRSUSJWLHH-HMHJJOSWSA-N
oboinowl_gen:hasDbXref
KEGG:C17411
CAS:523-01-3
skos:notation
CHEBI:81067
obo_purl:mass
478.62300
obo_purl:inchi
InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3/t18-,21-,25-/m0/s1
obo_purl:formula
C29H38N2O4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
1',2'-Dehydroemetin
oboinowl_gen:id
CHEBI:81067
rdfs:label
o-Methylpsychotrine
obo_purl:monoisotopicmass
478.28316
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_24922
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