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CHEBI:68314 - 2-O-acetylcrinamabine Trifluoroacetic acid

Default Structure
ChEBI IDCHEBI:68314
ChEBI Name2-O-acetylcrinamabine Trifluoroacetic acid
Stars
DefinitionA natural product found in Crinum asiaticum var. sinicum.
DownloadsMolfile
FormulaC18H21NO6.C2HF3O2
Net Charge0
Average Mass461.389
Monoisotopic Mass461.12975
SMILESCC(=O)O[C@H]1CC[C@@]2(O)N3CC[C@@]2(c2cc4c(cc2C3)OCO4)[C@H]1O.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21NO6.C2HF3O2/c1-10(20)25-13-2-3-18(22)17(16(13)21)4-5-19(18)8-11-6-14-15(7-12(11)17)24-9-23-14;3-2(4,5)1(6)7/h6-7,13,16,21-22H,2-5,8-9H2,1H3;(H,6,7)/t13-,16-,17+,18-;/m0./s1
InChIKeyCBNKNPJYMOTYPO-RQOHTHCISA-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)
2-O-acetylcrinamabine Trifluoroacetic acid (CHEBI:68314) has role metabolite (CHEBI:25212)
2-O-acetylcrinamabine Trifluoroacetic acid (CHEBI:68314) is a organic molecular entity (CHEBI:50860)
Citations