| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:33 UTC |
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| Update Date | 2025-03-21 18:06:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061119 |
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| Frequency | 59.7 |
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| Structure | |
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| Chemical Formula | C14H15NO7 |
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| Molecular Mass | 309.0849 |
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| SMILES | O=C(O)CN=C(O)CCCOC(=O)c1ccccc1C(=O)O |
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| InChI Key | RGNNZWJDMNDLTM-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboximidic acidscarboxylic acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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