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

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ChEBI Name	S-(-)-7,8-Didehydro-10-O-demethylxylopinine

ChEBI ID	CHEBI:70642

Definition	A natural product found in Annona glabra.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C20H22NO4

Net Charge

Average Mass

340.39300

Monoisotopic Mass

340.15433

InChI

InChI=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

InChIKey

CQJQKNXOVRQJAK-INIZCTEOSA-O

SMILES

[H][C@@]12Cc3cc(OC)c(O)cc3C=[N+]1CCc1cc(OC)c(OC)cc21

Metabolite of Species	Details
Annona glabra (NCBI:txid301703)	Found in stem wood (BTO:0001469). Ethanolic extract of stemwood See: DOI

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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-ol	ChEBI

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:isoquinolines(CHEBI:24922); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aromatic alcohol(CHEBI:33854); ISA:organonitrogen compound(CHEBI:35352); ISA:organic cation(CHEBI:25697);