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CHEBI:228272 - (+)-1,2-dehydrokohatine

ChEBI IDCHEBI:228272
ChEBI Name(+)-1,2-dehydrokohatine
Stars
Submittermwilliams
DownloadsMolfile
FormulaC34H30N2O6
Net Charge0
Average Mass562.622
Monoisotopic Mass562.21039
SMILESCOc1c(O)c2c3c4c1Oc1cc5c(cc1O4)C(=NCC5)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2
InChIInChI=1S/C34H30N2O6/c1-36-12-10-22-30-25(36)14-18-3-6-21(7-4-18)40-27-15-19(5-8-26(27)37)13-24-23-17-29-28(16-20(23)9-11-35-24)42-34(32(30)41-29)33(39-2)31(22)38/h3-8,15-17,25,37-38H,9-14H2,1-2H3/t25-/m0/s1
InChIKeyMGQBZFRSIWBOLY-VWLOTQADSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+)-1,2-dehydrokohatine (CHEBI:228272) is a isoquinoline alkaloid (CHEBI:24921)
Manual XrefsDatabases
C00025636KNApSAcK