| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:51 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO5S |
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| Molecular Mass | 281.0358 |
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| SMILES | NS(=O)(=O)c1ccc2cccc(OCC(=O)O)c2c1 |
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| InChI Key | CISVHHMTBSNJQP-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 | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 2-naphthalene sulfonamides |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 2-naphthalene sulfonic acids and derivativesalkyl aryl ethersaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganosulfonamidesphenol ethersphenoxyacetic acid derivatives |
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| Substituents | phenol etherorganosulfonic acid or derivativesphenoxyacetatecarbonyl groupethercarboxylic acidalkyl aryl etherorganosulfur compoundcarboxylic acid derivative2-naphthalene sulfonamideorganosulfonic acid amideorganic oxideaminosulfonyl compoundaromatic homopolycyclic compound2-naphthalene sulfonic acid or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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