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CHEBI:68319 - 8-O-demethyloxomaritidine Trifluoroacetic acid

Default Structure
ChEBI IDCHEBI:68319
ChEBI Name8-O-demethyloxomaritidine Trifluoroacetic acid
Stars
DefinitionA natural product found in Crinum asiaticum var. sinicum.
DownloadsMolfile
FormulaC16H17NO3.C2HF3O2
Net Charge0
Average Mass385.338
Monoisotopic Mass385.11371
SMILESO=C(O)C(F)(F)F.[H][C@]12CC(=O)C=C[C@@]13CCN2Cc1cc(O)c(OC)cc13
InChIInChI=1S/C16H17NO3.C2HF3O2/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17;3-2(4,5)1(6)7/h2-3,6,8,15,19H,4-5,7,9H2,1H3;(H,6,7)/t15-,16-;/m0./s1
InChIKeyBNFVRWLADFLNAL-MOGJOVFKSA-N
Species of MetaboliteComponentSourceComments
Crinum asiaticum var. sinicum (ncbitaxon:223245) leaf (BTO:0000713) PubMed (21314165) 95% ethanolic extract of dried, powdered leaves
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)
8-O-demethyloxomaritidine Trifluoroacetic acid (CHEBI:68319) has role metabolite (CHEBI:25212)
8-O-demethyloxomaritidine Trifluoroacetic acid (CHEBI:68319) is a organic molecular entity (CHEBI:50860)
Synonym  Source
(1R,10S)-5-Hydroxy-4-methoxy-9-azatetracyclo[7.5.2.0(1,10).0(2,7)]hexadeca-2,4,6,13-tetraen-12-one Trifluoroacetic acidChEBI
Citations