| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:25 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238764 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO6 |
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| Molecular Mass | 319.1056 |
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| SMILES | NC(=O)C1OC(Oc2cccc3ccccc23)C(O)C(O)C1O |
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| InChI Key | JJEIVTMBYDYZMN-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary carboxylic acid amidespyran carboxylic acidspyranssecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol ethercarbonyl groupmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativescarboxamide groupoxacyclenaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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