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CHEBI:175585 - Xanthoplanine

ChEBI IDCHEBI:175585
ChEBI NameXanthoplanine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26NO4
Net Charge+1
Average Mass356.442
Monoisotopic Mass356.18563
SMILES[H][C@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(OC)cc(c31)CC[N+]2(C)C
InChIInChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
InChIKeyFGUCOPALAZXICJ-HNNXBMFYSA-O
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)
Xanthoplanine (CHEBI:175585) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
(6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-9-ol
Manual XrefsDatabases
25042175ChemSpider