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CHEBI:68303 - 4a-dehydroxycrinamabine Trifluoroacetic acid

Default Structure
ChEBI IDCHEBI:68303
ChEBI Name4a-dehydroxycrinamabine Trifluoroacetic acid
Stars
DefinitionA natural product found in Crinum asiaticum var. sinicum.
DownloadsMolfile
FormulaC16H19NO4.C2HF3O2
Net Charge0
Average Mass403.353
Monoisotopic Mass403.12427
SMILESO=C(O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](O)[C@]13CCN2Cc1cc2c(cc13)OCO2
InChIInChI=1S/C16H19NO4.C2HF3O2/c18-11-1-2-14-16(15(11)19)3-4-17(14)7-9-5-12-13(6-10(9)16)21-8-20-12;3-2(4,5)1(6)7/h5-6,11,14-15,18-19H,1-4,7-8H2;(H,6,7)/t11-,14+,15-,16-;/m0./s1
InChIKeyKMXPVDCNAVLQCI-SNCSXGFESA-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)
4a-dehydroxycrinamabine Trifluoroacetic acid (CHEBI:68303) has role metabolite (CHEBI:25212)
4a-dehydroxycrinamabine Trifluoroacetic acid (CHEBI:68303) is a organic molecular entity (CHEBI:50860)
Synonym  Source
(1beta,2beta)-Crinan-1,2-diol Trifluoroacetic acidChEBI
Citations