| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:38 UTC |
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| Update Date | 2025-03-21 17:57:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009970 |
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| Frequency | 477.7 |
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| Structure | |
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| Chemical Formula | C9H8O5 |
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| Molecular Mass | 196.0372 |
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| SMILES | COc1cc(C(=O)C(=O)O)ccc1O |
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| InChI Key | HQAYTVADCVBACX-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha-keto acids and derivativesanisolesaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidealpha-keto acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativephenoxy compoundorganooxygen compoundaryl ketone |
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