| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:50 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219461 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O6S2 |
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| Molecular Mass | 318.0232 |
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| SMILES | COc1cc(C=CC(=O)SCCS(=O)(=O)O)ccc1O |
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| InChI Key | FZRREGCMEDVNMZ-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfonic acidsphenoxy compoundssulfenyl compoundssulfonylsthioestersthiolactones |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupetherorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxidethiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estermethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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