| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:19 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236325 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO5 |
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| Molecular Mass | 225.0637 |
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| SMILES | COc1c(NC(C)=O)ccc(C(=O)O)c1O |
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| InChI Key | KJHQFXJWYGOINU-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-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsacetamidesacetanilidesalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssalicylic acidssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidn-acetylarylaminebenzoylmethoxyphenoln-arylamidesalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesacetamideacylaminobenzoic acid or derivativesacetanilide1-hydroxy-4-unsubstituted benzenoidcarboxamide groupmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolephenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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