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CHEBI:175150 - Romucosine A

ChEBI IDCHEBI:175150
ChEBI NameRomucosine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19NO4
Net Charge0
Average Mass325.364
Monoisotopic Mass325.13141
SMILES[H][C@@]12Cc3ccccc3-c3c(OC)c(O)cc(c31)CCN2C(=O)OC
InChIInChI=1S/C19H19NO4/c1-23-18-15(21)10-12-7-8-20(19(22)24-2)14-9-11-5-3-4-6-13(11)17(18)16(12)14/h3-6,10,14,21H,7-9H2,1-2H3/t14-/m1/s1
InChIKeyWMSBEBIDBZELHC-CQSZACIVSA-N
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)
Romucosine A (CHEBI:175150) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
methyl (6aR)-2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Manual XrefsDatabases
8421242ChemSpider