| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:07 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | Nc1ccc(CC(=O)CCC(=O)O)cc1 |
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| InChI Key | WOBRZOAVQKYZAZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsbenzene and substituted derivativescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundamino fatty acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundmedium-chain keto acid |
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