| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:44 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184673 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO6 |
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| Molecular Mass | 255.0743 |
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| SMILES | NC(CCc1ccc(CC(=O)C(=O)O)o1)C(=O)O |
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| InChI Key | TVSPMBGNBSEYEB-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 | furanoid fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuranoid fatty acidheteroaromatic compoundoxacycleorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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