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CHEBI:216417 - Illudinine

ChEBI IDCHEBI:216417
ChEBI NameIlludinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17NO3
Net Charge0
Average Mass271.316
Monoisotopic Mass271.12084
SMILESCOc1c2c(c(C(=O)O)c3ccncc13)CC(C)(C)C2
InChIInChI=1S/C16H17NO3/c1-16(2)6-10-11(7-16)14(20-3)12-8-17-5-4-9(12)13(10)15(18)19/h4-5,8H,6-7H2,1-3H3,(H,18,19)
InChIKeyFSBVQCVHOXXMGN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Clitocybe (ncbitaxon:50966) - PubMed (5768225)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Illudinine (CHEBI:216417) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
9-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinoline-5-carboxylic acid
Manual XrefsDatabases
248322ChemSpider