| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:04 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18ClN3O4 |
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| Molecular Mass | 315.0986 |
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| SMILES | CN(C(=N)NC1OC(CO)C(O)C1O)c1ccc(Cl)cc1 |
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| InChI Key | XFTFYQYQBLLYPY-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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