| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:27 UTC |
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| Update Date | 2025-03-25 00:56:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218554 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O5 |
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| Molecular Mass | 281.1012 |
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| SMILES | Cn1cnc2c1c(C(=O)O)cn2C1CC(O)C(CO)O1 |
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| InChI Key | COLOOXZUKFDXRF-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 carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | carboxylic acidmonosaccharidesubstituted pyrrolecarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundprimary alcoholazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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