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CHEBI:2707 - Ancistrocladine

ChEBI IDCHEBI:2707
ChEBI NameAncistrocladine
Stars
Last Modified22 September 2017
DownloadsMolfile
FormulaC25H29NO4
Net Charge0
Average Mass407.510
Monoisotopic Mass407.20966
SMILESCOc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1[C@H](C)N[C@@H](C)C2
InChIInChI=1S/C25H29NO4/c1-13-10-20(29-5)25-16(8-7-9-19(25)28-4)22(13)24-17-11-14(2)26-15(3)23(17)21(30-6)12-18(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15-/m0/s1
InChIKeyXUFOYASAFNKRRE-GJZGRUSLSA-N
ChEBI Ontology
Outgoing Relation(s)
Ancistrocladine (CHEBI:2707) is a isoquinolines (CHEBI:24922)
Ancistrocladine (CHEBI:2707) is a naphthalenes (CHEBI:25477)
Synonym  Source
AncistrocladineKEGG COMPOUND
Manual XrefsDatabases
C09335KEGG COMPOUND
C00001803KNApSAcK
Registry NumbersSources
CAS:32221-59-3KEGG COMPOUND