| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O2 |
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| Molecular Mass | 211.1321 |
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| SMILES | CN(C)CCc1c[nH]c(CN)c1C(=O)O |
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| InChI Key | BFRVVGLEBRYTNI-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 compoundsamino acidsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylaminesvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundtertiary aminevinylogous amideazacycleheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrole-3-carboxylic acidamineorganooxygen compound |
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