| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:57 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201177 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | COc1cc(C=C2C=NC(C(=O)O)C2)ccc1O |
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| InChI Key | WNZOLJLAYHTCJP-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesiminesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundspyrroline 2-carboxylic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundimine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundmethoxybenzenepyrroline 2-carboxylic acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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