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CHEBI:70642 - S-(-)-7,8-Didehydro-10-O-demethylxylopinine

ChEBI IDCHEBI:70642
ChEBI NameS-(-)-7,8-Didehydro-10-O-demethylxylopinine
Stars
DefinitionA natural product found in Annona glabra.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22NO4
Net Charge+1
Average Mass340.399
Monoisotopic Mass340.15433
SMILES[H][C@@]12Cc3cc(OC)c(O)cc3C=[N+]1CCc1cc(OC)c(OC)cc12
InChIInChI=1S/C20H21NO4/c1-23-18-9-13-6-16-15-10-20(25-3)19(24-2)8-12(15)4-5-21(16)11-14(13)7-17(18)22/h7-11,16H,4-6H2,1-3H3/p+1/t16-/m0/s1
InChIKeyCQJQKNXOVRQJAK-INIZCTEOSA-O
Species of MetaboliteComponentSourceComments
Annona glabra (ncbitaxon:301703) stem wood (BTO:0001469) DOI (10.1021/np100247r) Ethanolic extract of stemwood
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)
S-(-)-7,8-Didehydro-10-O-demethylxylopinine (CHEBI:70642) has role metabolite (CHEBI:25212)
S-(-)-7,8-Didehydro-10-O-demethylxylopinine (CHEBI:70642) is a isoquinolines (CHEBI:24922)
Synonym  Source
(-)-(13aS)-2,3,11-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-7-ium-10-olChEBI