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CHEBI:68307 - hamayne Trifluoroacetic acid

Default Structure
ChEBI IDCHEBI:68307
ChEBI Namehamayne Trifluoroacetic acid
Stars
DefinitionA natural product found in Crinum asiaticum var. sinicum.
DownloadsMolfile
FormulaC16H17NO4.C2HF3O2
Net Charge0
Average Mass401.337
Monoisotopic Mass401.10862
SMILESO=C(O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@]13c1cc4c(cc1CN2C[C@@H]3O)OCO4
InChIInChI=1S/C16H17NO4.C2HF3O2/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10;3-2(4,5)1(6)7/h1-3,5,10,14-15,18-19H,4,6-8H2;(H,6,7)/t10-,14-,15-,16-;/m0./s1
InChIKeyWDVRJTFINXXLSJ-RCGOWTHUSA-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)
hamayne Trifluoroacetic acid (CHEBI:68307) has role metabolite (CHEBI:25212)
hamayne Trifluoroacetic acid (CHEBI:68307) is a organic molecular entity (CHEBI:50860)
Citations