| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:48 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO5 |
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| Molecular Mass | 263.0794 |
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| SMILES | O=C(O)CC1N=C(O)C(O)(Cc2ccccc2)C1=O |
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| InChI Key | MBTYPHFHRCASKU-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acyloinsazacyclic compoundscarboxylic acidscyclic carboximidic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinestertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcyclic ketonecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleorganic 1,3-dipolar compoundtertiary alcoholmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundacyloinhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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