| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:24 UTC |
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| Update Date | 2025-03-21 17:58:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016262 |
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| Frequency | 263.0 |
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| Structure | |
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| Chemical Formula | C12H10ClNO3 |
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| Molecular Mass | 251.0349 |
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| SMILES | O=C(O)c1ccc(Cl)cc1NCc1ccco1 |
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| InChI Key | SYXJAVQYZFWRFS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | halobenzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-halobenzoic acidsamino acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminesvinylogous amides |
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| 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 derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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