| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:37 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250819 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12ClNO2 |
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| Molecular Mass | 261.0557 |
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| SMILES | O=C(O)CC(c1cccc(Cl)c1)c1ccccn1 |
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| InChI Key | RCGVQMDIXKXWCK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundaryl chloridechlorobenzeneazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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