| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | O=C(O)c1ccc(NCC2CC(O)C(O)O2)cc1 |
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| InChI Key | SYXMFJBCKVSNMR-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsbenzoyl derivativescarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalbenzoic acidorganoheterocyclic compoundalcoholtetrahydrofuransecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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