| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:29 UTC |
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| Update Date | 2025-03-25 00:56:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27NO8 |
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| Molecular Mass | 409.1737 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1ccccc1C(O)=NC(CC(=O)O)C(=O)O |
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| InChI Key | PCDXRMDCUDFAHS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboximidic acidscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esterpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholbenzoic acid or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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