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CHEBI:169824 - Litcubine

ChEBI IDCHEBI:169824
ChEBI NameLitcubine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22NO4
Net Charge+1
Average Mass328.388
Monoisotopic Mass328.15433
SMILESCOc1cc2c(cc1O)C1Cc3cc(OC)c(O)cc3[N+]1(C)CC2
InChIInChI=1S/C19H21NO4/c1-20-5-4-11-7-18(23-2)16(21)9-13(11)15(20)6-12-8-19(24-3)17(22)10-14(12)20/h7-10,15H,4-6H2,1-3H3,(H-,21,22)/p+1
InChIKeyCWKRVCVOEADAEH-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Litcubine (CHEBI:169824) is a isoquinolines (CHEBI:24922)
IUPAC Name 
3,10-dimethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium-2,9-diol
Manual XrefsDatabases
35031947ChemSpider
HMDB0032110HMDB