| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:00 UTC |
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| Update Date | 2025-03-21 18:06:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062221 |
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| Frequency | 49.9 |
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| Structure | |
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| Chemical Formula | C11H12O7 |
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| Molecular Mass | 256.0583 |
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| SMILES | COc1cc(CC(O)(C(=O)O)C(=O)O)ccc1O |
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| InChI Key | SPZGHGNOKNPSPW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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