| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:09 UTC |
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| Update Date | 2025-03-25 00:55:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO2 |
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| Molecular Mass | 219.1259 |
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| SMILES | CN1CCCC1Cc1ccccc1C(=O)O |
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| InChI Key | GFXCFJUFBMDHEA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsazacyclic compoundsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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