| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:11 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156206 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO3 |
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| Molecular Mass | 197.1052 |
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| SMILES | Cc1c(O)c(C(=O)O)c(C(C)C)n1C |
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| InChI Key | AYTQMEZPQOYOFC-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 heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolesvinylogous acidsvinylogous amides |
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| Substituents | vinylogous amiden-methylpyrrolecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrrolecarboxylic acid derivativevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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