EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31213 - Ancistrotectorine

ChEBI IDCHEBI:31213
ChEBI NameAncistrotectorine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H31NO4
Net Charge0
Average Mass421.537
Monoisotopic Mass421.22531
SMILESCOc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)[C@@H](C)N(C)[C@@H](C)C2
InChIInChI=1S/C26H31NO4/c1-14-11-17-9-8-10-19(29-5)23(17)25(28)21(14)24-20(30-6)13-18-12-15(2)27(4)16(3)22(18)26(24)31-7/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16+/m0/s1
InChIKeyBHQAJMGEYYHIGV-JKSUJKDBSA-N
ChEBI Ontology
Outgoing Relation(s)
Ancistrotectorine (CHEBI:31213) is a isoquinolines (CHEBI:24922)
Ancistrotectorine (CHEBI:31213) is a naphthalenes (CHEBI:25477)
Synonym  Source
AncistrotectorineKEGG COMPOUND
Manual XrefsDatabases
C12340KEGG COMPOUND