| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:04 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203691 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO7 |
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| Molecular Mass | 335.1005 |
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| SMILES | O=C(O)CCC(O)C(OC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | YPISIZBUYKHKCX-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 acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidindoletricarboxylic acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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