| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:59 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO2 |
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| Molecular Mass | 221.1416 |
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| SMILES | Cc1[nH]c2c(c1C(=O)O)C(C)CCC2(C)C |
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| InChI Key | ALGJDPQMJNJFCS-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acidsvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidazacyclepyrrole-3-carboxylic acid or derivativesindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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