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CHEBI:8038 - Phaeantharine

ChEBI IDCHEBI:8038
ChEBI NamePhaeantharine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC39H40N2O6
Net Charge+2
Average Mass632.757
Monoisotopic Mass632.28754
SMILESCOc1cc2cc[n+](C)c(Cc3ccc(Oc4cc(Cc5c6cc(OC)c(OC)cc6cc[n+]5C)ccc4OC)cc3)c2cc1OC
InChIInChI=1S/C39H40N2O6/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/h8-17,20-24H,18-19H2,1-7H3/q+2
InChIKeyIWKHGZDMTOKGQP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Phaeantharine (CHEBI:8038) is a isoquinolines (CHEBI:24922)
Synonym  Source
PhaeantharineKEGG COMPOUND
Manual XrefsDatabases
C09608KEGG COMPOUND
C00001902KNApSAcK
Registry NumbersSources
CAS:27670-80-0KEGG COMPOUND