| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:10:07 UTC |
|---|
| Update Date | 2025-03-25 00:57:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224711 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H11ClN2O3 |
|---|
| Molecular Mass | 266.0458 |
|---|
| SMILES | Nc1cc(C(=O)O)c(NCc2ccco2)cc1Cl |
|---|
| InChI Key | KCIIQHNOWQBITN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | halobenzoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsamino acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminesprimary aminessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | furancarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundaryl chloridechlorobenzenevinylogous amidehalobenzoic acid4-halobenzoic acidheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halide4-halobenzoic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
