| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:50 UTC |
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| Update Date | 2025-03-21 18:35:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105038 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C8H9NO3 |
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| Molecular Mass | 167.0582 |
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| SMILES | Nc1c(CO)cccc1C(=O)O |
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| InChI Key | RYOPYSKPKDOFBX-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 acidsaromatic alcoholsbenzoyl derivativesbenzyl alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | aromatic alcoholcarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidalcoholvinylogous amidebenzyl alcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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