| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:36 UTC |
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| Update Date | 2025-03-21 18:02:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039928 |
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| Frequency | 86.8 |
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| Structure | |
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| Chemical Formula | C13H13NO6 |
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| Molecular Mass | 279.0743 |
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| SMILES | O=C(O)C1OC(Oc2c[nH]c3ccccc23)C(O)C1O |
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| InChI Key | BKZJKPIMTUQNFZ-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidindolemonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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