| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:20 UTC |
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| Update Date | 2025-03-21 18:32:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089175 |
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| Frequency | 31.7 |
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| Structure | |
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| Chemical Formula | C9H8O6 |
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| Molecular Mass | 212.0321 |
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| SMILES | COc1cc(C(=O)O)c(C(=O)O)cc1O |
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| InChI Key | OFECJXVRRIHUSC-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 benzenoidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsorganic oxidesp-methoxybenzoic acids and derivativesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxygen compoundp-methoxybenzoic acid or derivativesanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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