| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:42 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159542 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO5 |
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| Molecular Mass | 227.0794 |
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| SMILES | O=Cc1ccc(CO)n1CC(CO)C(=O)O |
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| InChI Key | DHJUGFCTPRPBSH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativebeta-hydroxy acidorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundaldehydemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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