CHEBI:68314 - 2-O-acetylcrinamabine Trifluoroacetic acid

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ChEBI Name 2-O-acetylcrinamabine Trifluoroacetic acid
ChEBI ID CHEBI:68314
Definition A natural product found in Crinum asiaticum var. sinicum.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000102191075
Download Molfile XML SDF
Formula C20H22F3NO8
Net Charge 0
Average Mass 461.38580
Monoisotopic Mass 461.12975
InChI InChI=1S/C18H21NO6.C2HF3O2/c1-10(20)25-13-2-3-18(22)17(16(13)21)4-5-19(18)8-11-6-14-15(7-12(11)17)24-9-23-14;3-2(4,5)1(6)7/h6-7,13,16,21-22H,2-5,8-9H2,1H3;(H,6,7)/t13-,16-,17+,18-;/m0./s1
InChIKey CBNKNPJYMOTYPO-RQOHTHCISA-N
SMILES OC(=O)C(F)(F)F.CC(=O)O[C@H]1CC[C@@]2(O)N3CC[C@]2([C@H]1O)c1cc2OCOc2cc1C3
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 2-O-acetylcrinamabine Trifluoroacetic acid (CHEBI:68314) has role metabolite (CHEBI:25212)
2-O-acetylcrinamabine Trifluoroacetic acid (CHEBI:68314) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
21314165 PubMed citation Europe PMC