| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:56 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | COc1cc(C(=O)O)c(O)cc1CCC(=O)O |
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| InChI Key | XSQKXBRBQNPZHC-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsphenylpropanoic acidssalicylic acidsvinylogous acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidbenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivatives4-alkoxyphenolmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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