| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:06 UTC |
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| Update Date | 2025-03-21 18:40:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129662 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C10H14N2O6 |
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| Molecular Mass | 258.0852 |
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| SMILES | Nc1ccc(C(=O)O)n1C1OC(CO)C(O)C1O |
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| InChI Key | ZVXIAZHKDBIYHJ-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidmonosaccharidesubstituted pyrrolecarboxylic acid derivativesaccharideorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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