CHEBI:9514 - Thalmine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thalmine
ChEBI ID CHEBI:9514
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H40N2O6
Net Charge 0
Average Mass 608.725
Monoisotopic Mass 608.28864
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)17-23-8-11-31(41-3)33(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30-/m0/s1
InChIKey CASHVZNATRNXDE-KYJUHHDHSA-N
SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc56)cc34
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Thalmine (CHEBI:9514) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Thalmine (CHEBI:9514) is a isoquinolines (CHEBI:24922)
Synonym Source
Thalmine KEGG COMPOUND
Manual Xrefs Databases
C00001922 KNApSAcK
C00027494 KNApSAcK
C09659 KEGG COMPOUND
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Registry Number Type Source
7682-65-7 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016