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CHEBI:68313 - crinamabine Trifluoroacetic acid

Default Structure
ChEBI IDCHEBI:68313
ChEBI Namecrinamabine Trifluoroacetic acid
Stars
DefinitionA natural product found in Crinum asiaticum var. sinicum.
DownloadsMolfile
FormulaC16H19NO5.C2HF3O2
Net Charge0
Average Mass419.352
Monoisotopic Mass419.11919
SMILESO=C(O)C(F)(F)F.O[C@H]1CC[C@@]2(O)N3CC[C@@]2(c2cc4c(cc2C3)OCO4)[C@H]1O
InChIInChI=1S/C16H19NO5.C2HF3O2/c18-11-1-2-16(20)15(14(11)19)3-4-17(16)7-9-5-12-13(6-10(9)15)22-8-21-12;3-2(4,5)1(6)7/h5-6,11,14,18-20H,1-4,7-8H2;(H,6,7)/t11-,14-,15+,16-;/m0./s1
InChIKeyUBPSZAPZJVBEAU-CHIYLFTISA-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)
crinamabine Trifluoroacetic acid (CHEBI:68313) has role metabolite (CHEBI:25212)
crinamabine Trifluoroacetic acid (CHEBI:68313) is a organic molecular entity (CHEBI:50860)
Citations