| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:34 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186644 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO5 |
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| Molecular Mass | 265.095 |
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| SMILES | Nc1ccc(C(=O)OCCCC(=O)CC(=O)O)cc1 |
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| InChI Key | SQKVIIKHASCFTQ-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 acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylbenzoate estercarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundamino fatty acidaromatic homomonocyclic compoundorganic oxygen compoundketo acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundmedium-chain keto acid |
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