| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:06 UTC |
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| Update Date | 2025-03-21 18:37:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115429 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C12H16ClN3O4 |
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| Molecular Mass | 301.0829 |
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| SMILES | N=C(Nc1ccc(Cl)cc1)NC1OC(CO)C(O)C1O |
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| InChI Key | WZCHCXUAFFDXSE-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 | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridescarboximidamidesguanidineshydrocarbon derivativesiminesmonosaccharidesorganochloridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundguanidineimineorganochloridemonosaccharideorganohalogen compoundsaccharideorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundaryl chloridechlorobenzenealcoholtetrahydrofurancarboximidamidearyl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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