| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:21 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO5 |
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| Molecular Mass | 199.0481 |
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| SMILES | O=C(O)Cn1cc(C(=O)O)cc1CO |
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| InChI Key | WMIZYVBMLQQOOA-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidssubstituted pyrrolesvinylogous amides |
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| Substituents | aromatic alcoholalcoholvinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundalpha-amino acid or derivativessubstituted pyrroleorganic oxideorganic oxygen compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganoheterocyclic compoundorganooxygen compound |
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