| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:29 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181888 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO7 |
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| Molecular Mass | 299.1005 |
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| SMILES | O=C(Nc1ccc(O)cc1)C1OC(CO)C(O)C(O)C1O |
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| InChI Key | HJBHQOGPBRJBPA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsanilidescarbonyl compoundscarboxylic acids and derivativesdialkyl ethershydrocarbon derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyranssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosacchariden-arylamidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholalcoholpyran carboxylic acid or derivativescarboxamide groupanilideoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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