EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

Default Structure
ChEBI IDCHEBI:68903
ChEBI Namerac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate
Stars
DefinitionA natural product found in Gnetum montanum.
DownloadsMolfile
FormulaC19H22NO4.C2F3O2
Net Charge0
Average Mass441.402
Monoisotopic Mass441.13992
SMILESCOc1cc2c3c(c1O)-c1cc(O)c(O)cc1CC3[N+](C)(C)CC2.O=C([O-])C(F)(F)F
InChIInChI=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)
InChIKeyVFLFCPDJEDTJAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gnetum montanum (ncbitaxon:3381) leaf (BTO:0000713) PubMed (22040053) Organic extract of air-dried and ground leaves
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
Citations