| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:50 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171213 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N3O5 |
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| Molecular Mass | 291.0855 |
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| SMILES | COc1cc(C=C2N=C(NCC(=O)O)NC2=O)ccc1O |
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| InChI Key | BUSBAIZYUUGPEI-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 compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesimidazolinonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundguanidine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinoneorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboximidamidemethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compound2-imidazolineanisoleimidazolinehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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