CHEBI:68903 - rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate

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ChEBI Name rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate
ChEBI ID CHEBI:68903
Definition A natural product found in Gnetum montanum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H22F3NO6
Net Charge 0
Average Mass 441.39770
Monoisotopic Mass 441.13992
InChI InChI=1S/C19H21NO4.C2HF3O2/c1-20(2)5-4-10-8-16(24-3)19(23)18-12-9-15(22)14(21)7-11(12)6-13(20)17(10)18;3-2(4,5)1(6)7/h7-9,13H,4-6H2,1-3H3,(H2-,21,22,23);(H,6,7)
InChIKey VFLFCPDJEDTJAC-UHFFFAOYSA-N
SMILES [O-]C(=O)C(F)(F)F.COc1cc2CC[N+](C)(C)C3Cc4cc(O)c(O)cc4-c(c1O)c23
Metabolite of Species Details
Gnetum montanum (NCBI:txid3381) Found in leaf (BTO:0000713). Organic extract of air-dried and ground 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 rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate (CHEBI:68903) has role metabolite (CHEBI:25212)
rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate (CHEBI:68903) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
22040053 PubMed citation Europe PMC