CHEBI:108491 - 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

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ChEBI Name 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
ChEBI ID CHEBI:108491
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H16N2O4
Net Charge 0
Average Mass 336.342
Monoisotopic Mass 336.11101
InChI InChI=1S/C19H16N2O4/c22-19(23)14-8-12-11-3-1-2-4-13(11)20-18(12)17(21-14)10-5-6-15-16(7-10)25-9-24-15/h1-7,14,17,20-21H,8-9H2,(H,22,23)
InChIKey MDXJJOKTGDJRNN-UHFFFAOYSA-N
SMILES C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)O
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 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CHEBI:108491) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-19867 LINCS
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