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CHEBI:181717 - 18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid

ChEBI IDCHEBI:181717
ChEBI Name18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O5
Net Charge0
Average Mass400.475
Monoisotopic Mass400.19982
SMILESCOc1ccc2c3c(nc2c1)C1CC2C(CC(O)C(OC)C2C(=O)O)CN1CC3
InChIInChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)
InChIKeyJVHNBFFHWQQPLL-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)
18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid (CHEBI:181717) is a alkaloid (CHEBI:22315)
IUPAC Name 
17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
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371595ChemSpider