| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:38 UTC |
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| Update Date | 2025-03-25 00:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O6 |
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| Molecular Mass | 348.1321 |
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| SMILES | NC(=O)C1(O)CC(O)C(O)C(OC(=O)Cc2c[nH]c3ccccc23)C1 |
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| InChI Key | JSWGYIIMUOREFJ-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 compoundsprimary carboxylic acid amidespyrrolestertiary alcohols |
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| Substituents | primary carboxylic acid amidecarbonyl groupindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundcyclohexanolcyclitol or derivativescyclic alcoholcarboxamide grouptertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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