CHEBI:68316 - 2-O-acetylbulbisine Trifluoroacetic acid

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ChEBI Name 2-O-acetylbulbisine Trifluoroacetic acid
ChEBI ID CHEBI:68316
Definition A natural product found in Crinum asiaticum var. sinicum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H24F3NO8
Net Charge 0
Average Mass 475.41240
Monoisotopic Mass 475.14540
InChI InChI=1S/C19H23NO6.C2HF3O2/c1-10(21)26-13-3-4-15-19(18(13)22)5-6-20(15)8-11-12(19)7-14-17(16(11)23-2)25-9-24-14;3-2(4,5)1(6)7/h7,13,15,18,22H,3-6,8-9H2,1-2H3;(H,6,7)/t13-,15+,18-,19-;/m0./s1
InChIKey ZYTSUMQIOKJQNI-QCAFIXIBSA-N
SMILES OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](OC(C)=O)[C@H](O)[C@]11CCN2Cc2c(OC)c3OCOc3cc12
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.
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ChEBI Ontology
Outgoing 2-O-acetylbulbisine Trifluoroacetic acid (CHEBI:68316) has role metabolite (CHEBI:25212)
2-O-acetylbulbisine Trifluoroacetic acid (CHEBI:68316) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
21314165 PubMed citation Europe PMC