CHEBI:120535 - 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl ester
ChEBI ID CHEBI:120535
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H17NO3
Net Charge 0
Average Mass 271.312
Monoisotopic Mass 271.12084
InChI InChI=1S/C16H17NO3/c1-10-5-6-13(16(19)20-4)8-15(10)17-11(2)7-14(9-18)12(17)3/h5-9H,1-4H3
InChIKey KZXQAAPFOWYLMH-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)C(=O)OC)N2C(=CC(=C2C)C=O)C
ChEBI Ontology
Outgoing 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4-methylbenzoic acid methyl ester (CHEBI:120535) is a pyrroles (CHEBI:26455)
Manual Xref Database
LSM-31978 LINCS
View more database links