| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:59 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249354 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10ClNO3 |
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| Molecular Mass | 215.0349 |
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| SMILES | COc1cc(Cl)ccc1NCC(=O)O |
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| InChI Key | DDYPOBZXHMDOAG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidorganochloridealkyl aryl etherorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenesecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundamineorganooxygen compound |
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