CHEBI:8038 - Phaeantharine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Phaeantharine
ChEBI ID CHEBI:8038
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C39H40N2O6
Net Charge +2
Average Mass 632.746
Monoisotopic Mass 632.28754
InChI InChI=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
InChIKey IWKHGZDMTOKGQP-UHFFFAOYSA-N
SMILES COc1ccc(Cc2[n+](C)ccc3cc(OC)c(OC)cc23)cc1Oc1ccc(Cc2[n+](C)ccc3cc(OC)c(OC)cc23)cc1
ChEBI Ontology
Outgoing Phaeantharine (CHEBI:8038) is a isoquinolines (CHEBI:24922)
Synonym Source
Phaeantharine KEGG COMPOUND
Manual Xrefs Databases
C00001902 KNApSAcK
C09608 KEGG COMPOUND
View more database links
Registry Number Type Source
27670-80-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014