CHEBI:68315 - 3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid

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ChEBI Name 3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid
ChEBI ID CHEBI:68315
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 C20H22F3NO6
Net Charge 0
Average Mass 429.38700
Monoisotopic Mass 429.13992
InChI InChI=1S/C18H21NO4.C2HF3O2/c1-11(20)23-13-3-4-18-5-6-19(17(18)8-13)10-12-7-15(21)16(22-2)9-14(12)18;3-2(4,5)1(6)7/h3-4,7,9,13,17,21H,5-6,8,10H2,1-2H3;(H,6,7)/t13-,17+,18+;/m1./s1
InChIKey HERFZNMLZYGZDD-CHPYXAQWSA-N
SMILES OC(=O)C(F)(F)F.[H][C@]12C[C@H](OC(C)=O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12
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 3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid (CHEBI:68315) has role metabolite (CHEBI:25212)
3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid (CHEBI:68315) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
21314165 PubMed citation Europe PMC