(7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine (CHEBI:70635)

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ChEBI Name	(7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine

ChEBI ID	CHEBI:70635

Definition	A natural product found in Annona glabra.

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

Supplier Information	ChemicalBook:CB6147431, eMolecules:500375, ZINC000000163290

Download	Molfile XML SDF

Formula

C21H26NO4

Net Charge

Average Mass

356.43540

Monoisotopic Mass

356.18563

InChI

InChI=1S/C21H25NO4/c1-22-6-5-13-9-20(25-3)21(26-4)11-16(13)17(22)7-14-10-19(24-2)18(23)8-15(14)12-22/h8-11,17H,5-7,12H2,1-4H3/p+1/t17-,22-/m0/s1

InChIKey

RSXDOESUHFUNSO-JTSKRJEESA-O

SMILES

[H][C@@]12Cc3cc(OC)c(O)cc3C[N@+]1(C)CCc1cc(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. (via alkaloid )

ChEBI Ontology
Outgoing	(7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine (CHEBI:70635) has role metabolite (CHEBI:25212) (7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine (CHEBI:70635) is a alkaloid (CHEBI:22315)

Synonym	Source
(-)-(7S,13aS)-2,3,11-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[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:quaternary ammonium salt(CHEBI:35273); ISA:aromatic alcohol(CHEBI:33854); ISA:organic cation(CHEBI:25697);