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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_188627
http://purl.obolibrary.org/obo/CHEBI_188627
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_188627
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Preferred name
O-methylthalibrine
Synonyms
(1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles
O(C=1C=C2[C@@H](N(CCC2=CC1OC)C)CC3=CC(OC4=CC=C(C[C@@H]5N(CCC=6C5=CC(OC)=C(OC)C6)C)C=C4)=C(OC)C=C3)C
obo_purl:charge
0
obo_purl:inchikey
UHYCXSGUNAWVBW-LQJZCPKCSA-N
oboinowl_gen:hasDbXref
CAS:59654-05-6
Chemspider:161639
skos:notation
CHEBI:188627
oboinowl_gen:hasExactSynonym
(1S)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
obo_purl:mass
638.805
obo_purl:inchi
InChI=1S/C39H46N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-8-11-29(12-9-25)47-39-20-26(10-13-34(39)42-3)19-33-31-24-38(46-7)36(44-5)22-28(31)15-17-41(33)2/h8-13,20-24,32-33H,14-19H2,1-7H3/t32-,33-/m0/s1
obo_purl:formula
C39H46N2O6
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id
CHEBI:188627
rdfs:label
O-methylthalibrine
obo_purl:monoisotopicmass
638.33559
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_24922
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