CHEBI:68303 - 4a-dehydroxycrinamabine Trifluoroacetic acid

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ChEBI Name 4a-dehydroxycrinamabine Trifluoroacetic acid
ChEBI ID CHEBI:68303
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 C18H20F3NO6
Net Charge 0
Average Mass 403.34970
Monoisotopic Mass 403.12427
InChI InChI=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
InChIKey KMXPVDCNAVLQCI-SNCSXGFESA-N
SMILES OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](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 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 acid ChEBI
Citation Waiting for Citations Type Source
21314165 PubMed citation Europe PMC