| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:25 UTC |
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| Update Date | 2025-03-21 18:31:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087060 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | COc1cc(C(=O)OCCCC(=O)O)ccc1O |
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| InChI Key | FRGKFOMXCUVOSV-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-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidem-methoxybenzoic acid or derivativesmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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