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CHEBI:3346 - Cancentrine

ChEBI IDCHEBI:3346
ChEBI NameCancentrine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC36H34N2O7
Net Charge0
Average Mass606.675
Monoisotopic Mass606.23660
SMILES[H][C@]12Oc3c(OC)ccc4c3[C@]13CCN(C)[C@@H](C4)[C@@]3([H])C[C@]21C(=O)C2=C3c4c(ccc(OC)c4Oc4c2ccc(OC)c4O)CCN31
InChIInChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36+/m1/s1
InChIKeyXWPPHGONALRWBY-SMUAMFJKSA-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)
Cancentrine (CHEBI:3346) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Cancentrine (CHEBI:3346) is a dibenzooxazepine (CHEBI:53802)
Synonym  Source
CancentrineKEGG COMPOUND
Manual XrefsDatabases
C09370KEGG COMPOUND
C00001828KNApSAcK
Registry NumbersSources
CAS:29477-90-5KEGG COMPOUND