| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:06 UTC |
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| Update Date | 2025-03-21 18:41:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136567 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C11H15NO5 |
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| Molecular Mass | 241.095 |
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| SMILES | O=C(O)CCc1c[nH]c(CO)c1CCC(=O)O |
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| InChI Key | DOXRSKPQLIPKIK-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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