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CHEBI:68306 - bulbisine Trifluoroacetic acid

Default Structure
ChEBI IDCHEBI:68306
ChEBI Namebulbisine Trifluoroacetic acid
Stars
DefinitionA natural product found in Crinum asiaticum var. sinicum.
DownloadsMolfile
FormulaC17H21NO5.C2HF3O2
Net Charge0
Average Mass433.379
Monoisotopic Mass433.13484
SMILESO=C(O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](O)[C@]13CCN2Cc1c3cc2c(c1OC)OCO2
InChIInChI=1S/C17H21NO5.C2HF3O2/c1-21-14-9-7-18-5-4-17(13(18)3-2-11(19)16(17)20)10(9)6-12-15(14)23-8-22-12;3-2(4,5)1(6)7/h6,11,13,16,19-20H,2-5,7-8H2,1H3;(H,6,7)/t11-,13+,16-,17-;/m0./s1
InChIKeyGKYNBKUEZVMORG-JJTLMRPKSA-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)
bulbisine Trifluoroacetic acid (CHEBI:68306) has role metabolite (CHEBI:25212)
bulbisine Trifluoroacetic acid (CHEBI:68306) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
1-Epideacetylbowdensine Trifluoroacetic acidChEBI
Crinan-1,2-diol, 7-methoxy-, (1beta,2beta)-Trifluoroacetic acidChEBI
Registry NumbersSources
CAS:101219-55-0ChemIDplus
Citations