| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:06 UTC |
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| Update Date | 2025-03-21 18:01:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031583 |
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| Frequency | 116.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4 |
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| Molecular Mass | 183.0532 |
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| SMILES | COc1c(O)cc(C(N)=O)cc1O |
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| InChI Key | NFVRQGABZZEICU-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzamidesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary carboxylic acid amidesresorcinols |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietyetherbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebenzamideresorcinolorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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