| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:11 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO8 |
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| Molecular Mass | 337.0798 |
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| SMILES | O=C(O)CN=C(O)CC1=C(O)C(=O)OC1Cc1ccc(O)c(O)c1 |
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| InChI Key | VWFLOOSMOZLNHS-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbutenolidescarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundlactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compounddihydrofuranenoate esterorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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