| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:16 UTC |
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| Update Date | 2025-03-25 00:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222796 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO6 |
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| Molecular Mass | 267.0743 |
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| SMILES | O=CNc1ccc(O)cc1C(=O)OCCCC(=O)O |
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| InChI Key | VIFWUWKAZICSOY-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsanilidesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amidesm-hydroxybenzoic acid esters |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidebenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundm-hydroxybenzoic acid estervinylogous amideacylaminobenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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