| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:55 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 | DMID02219675 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O8 |
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| Molecular Mass | 298.0689 |
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| SMILES | COc1cc(C(=O)O)ccc1OC(=O)CC(O)CC(=O)O |
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| InChI Key | XYXGUVVBQTYCRV-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 | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenol estersphenoxy compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidbenzoyltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidebenzoic acidm-methoxybenzoic acid or derivativesalcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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