| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:27 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163464 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15NO3 |
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| Molecular Mass | 269.1052 |
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| SMILES | O=C(O)C(O)CCn1ccc2c3ccccc3ccc21 |
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| InChI Key | DQINKTWASIGKNQ-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidindolealpha-hydroxy acidmonosaccharidesubstituted pyrrolecarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativeshydroxy acidmonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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