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CHEBI:94336 - 2-(1,8-diethyl-4,8-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid

ChEBI IDCHEBI:94336
ChEBI Name2-(1,8-diethyl-4,8-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
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DownloadsMolfile
FormulaC17H21NO3
Net Charge0
Average Mass287.359
Monoisotopic Mass287.15214
SMILESCCC1C=CC=C2C1=NC1=C2CCOC1(CC)CC(=O)O
InChIInChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,11H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKeyYKHKOAOQAYXTKT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(1,8-diethyl-4,8-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid (CHEBI:94336) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-4984LINCS