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

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ChEBI Name 18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
ChEBI ID CHEBI:181717
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H28N2O5
Net Charge 0
Average Mass 400.475
Monoisotopic Mass 400.19982
InChI InChI=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)
InChIKey JVHNBFFHWQQPLL-UHFFFAOYSA-N
SMILES O(C1C(C2C(CN3C(C2)C=4NC5=C(C4CC3)C=CC(OC)=C5)CC1O)C(O)=O)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
371595 ChemSpider
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