| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:23 UTC |
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| Update Date | 2025-03-21 18:02:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037104 |
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| Frequency | 95.1 |
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| Structure | |
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| Chemical Formula | C17H19NO8 |
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| Molecular Mass | 365.1111 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)OC1C(O)C(O)C(O)C(C(=O)O)C1O |
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| InChI Key | SGPVNJRQPCRIGX-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 compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindolecarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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