| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:42 UTC |
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| Update Date | 2025-03-25 00:48:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170904 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | CNc1cc(C)ccc1C(=O)O |
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| InChI Key | LTPUXANVSLUIPN-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 homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminestoluenesvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidesecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundtolueneamineorganooxygen compound |
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