CHEBI:68309 - 1-epijosephinine Trifluoroacetic acid

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ChEBI Name 1-epijosephinine Trifluoroacetic acid
ChEBI ID CHEBI:68309
Definition A natural product found in Crinum asiaticum var. sinicum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H22F3NO7
Net Charge 0
Average Mass 445.38640
Monoisotopic Mass 445.13484
InChI InChI=1S/C18H21NO5.C2HF3O2/c1-10(20)24-13-2-3-16-18(17(13)21)4-5-19(16)8-11-6-14-15(7-12(11)18)23-9-22-14;3-2(4,5)1(6)7/h6-7,13,16-17,21H,2-5,8-9H2,1H3;(H,6,7)/t13-,16+,17-,18-;/m0./s1
InChIKey VIBZMUTTWAQWSP-XUEOZKIVSA-N
SMILES OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](OC(C)=O)[C@H](O)[C@]11CCN2Cc2cc3OCOc3cc12
Metabolite of Species Details
Crinum asiaticum var. sinicum (NCBI:txid223245) Found in leaf (BTO:0000713). 95% ethanolic extract of dried, powdered leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-epijosephinine Trifluoroacetic acid (CHEBI:68309) has role metabolite (CHEBI:25212)
1-epijosephinine Trifluoroacetic acid (CHEBI:68309) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
21314165 PubMed citation Europe PMC