| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:46 UTC |
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| Update Date | 2025-03-21 18:01:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030764 |
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| Frequency | 120.6 |
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| Structure | |
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| Chemical Formula | C10H10O6 |
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| Molecular Mass | 226.0477 |
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| SMILES | COc1cc(C(=O)O)ccc1OCC(=O)O |
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| InChI Key | LFKQZQINUJPCDO-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidbenzoylbenzoic acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidphenoxy compoundm-methoxybenzoic acid or derivativesorganooxygen compound |
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