| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:49 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164305 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4 |
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| Molecular Mass | 252.111 |
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| SMILES | CC(O)C(O)C1CNc2ccc(C(N)=O)cc2O1 |
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| InChI Key | RYKHIFDYAFAXGU-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 | 1,2-diolsalkyl aryl ethersamino acids and derivativesazacyclic compoundsbenzenoidsbenzomorpholinescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholssecondary alkylarylamines |
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| Substituents | primary carboxylic acid amideetheramino acid or derivativesalkyl aryl ethercarboxylic acid derivativebenzomorpholineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholazacyclebenzoxazinesecondary aminecarboxamide groupoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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