| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:23 UTC |
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| Update Date | 2025-03-21 18:31:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084659 |
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| Frequency | 33.8 |
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| Structure | |
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| Chemical Formula | C16H19NO6 |
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| Molecular Mass | 321.1212 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)OC1CC(O)C(O)C(O)C1O |
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| InChI Key | OBFLXVHYXHODQD-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundcyclohexanolcyclitol or derivativescyclic alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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