| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181823 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H8O7 |
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| Molecular Mass | 240.027 |
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| SMILES | O=C(O)C(=O)Cc1ccc(O)c(C(=O)O)c1O |
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| InChI Key | SNJBVXNMKJEBLQ-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanoic acidsresorcinolssalicylic acidsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalpha-hydroxy ketonecarboxylic acid derivativeresorcinolketoneorganic oxidealpha-keto acid1-carboxy-2-haloaromatic compoundbenzoic acidphenylpyruvatebenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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