| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:01 UTC |
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| Update Date | 2025-03-21 18:38:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122423 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | O=C(O)Cn1c(CO)ccc1CO |
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| InChI Key | XBWUYJYKAFXXGO-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-amino acid or derivativessubstituted pyrroleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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