| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:28 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206888 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO6 |
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| Molecular Mass | 269.0899 |
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| SMILES | O=C(O)C1OC(O)(CNc2ccccc2)C(O)C1O |
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| InChI Key | YBIIONAJSRRCFT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsamino acidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideorganopnictogen compoundhemiacetalorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidorganooxygen compound |
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