| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:37 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202627 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO5 |
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| Molecular Mass | 223.0481 |
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| SMILES | O=C(O)c1cccc2c1OCC(C(=O)O)N2 |
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| InChI Key | CJWFJAWBYBOLOD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxazines |
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| Subclass | benzoxazines |
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| Direct Parent | benzoxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersalpha amino acidsamino acidsazacyclic compoundsbenzenoidsbenzomorpholinescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundazacyclebenzoxazinesecondary amineoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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