| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:51 UTC |
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| Update Date | 2025-03-25 00:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO7 |
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| Molecular Mass | 311.1005 |
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| SMILES | CN(CC(=O)O)CC(O)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | IUOQWLXQGFOWJU-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 | 1,2-aminoalcohols1-carboxy-2-haloaromatic compoundsalpha amino acidsamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylaminestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoyltricarboxylic acid or derivativesbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativeorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidtertiary aminealcohol1,2-aminoalcoholtertiary aliphatic aminearomatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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