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CHEBI:174770 - Romucosine C

ChEBI IDCHEBI:174770
ChEBI NameRomucosine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO5
Net Charge0
Average Mass355.390
Monoisotopic Mass355.14197
SMILES[H][C@]12Cc3ccc(O)cc3-c3c(OC)c(OC)cc(c31)CCN2C(=O)OC
InChIInChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3/t15-/m0/s1
InChIKeyILKYEDYPZACASH-HNNXBMFYSA-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 C (CHEBI:174770) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
methyl (6aS)-10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
Manual XrefsDatabases
8648801ChemSpider