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CHEBI:174590 - 11-Hydroxytubotaiwine

Default Structure
ChEBI IDCHEBI:174590
ChEBI Name11-Hydroxytubotaiwine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O3
Net Charge0
Average Mass340.423
Monoisotopic Mass340.17869
SMILESCCC1C2CCN3CCC4(C(=C2C(=O)OC)Nc2cc(O)ccc24)C13
InChIInChI=1S/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3
InChIKeyILEBWSZOKJHVSX-UHFFFAOYSA-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)
11-Hydroxytubotaiwine (CHEBI:174590) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl 18-ethyl-5-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
Manual XrefsDatabases
35015031ChemSpider
HMDB0040799HMDB