| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:54 UTC |
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| Update Date | 2025-03-21 18:39:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124414 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C8H8O5S |
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| Molecular Mass | 216.0092 |
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| SMILES | COc1cc(C(=O)O)ccc1S(=O)O |
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| InChI Key | CSBNHPYTRLVKJE-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 | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsp-sulfanylbenzoic acidsphenoxy compoundssulfinic acids |
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| Substituents | phenol etherethercarboxylic acidsulfinic acid derivativebenzoylalkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxidebenzoic acidm-methoxybenzoic acid or derivativesmethoxybenzenep-sulfanylbenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-sulfanylbenzoic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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