| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:05 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO6S |
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| Molecular Mass | 273.0307 |
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| SMILES | CS(=O)(=O)c1ccc(NCC(=O)O)c(C(=O)O)c1 |
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| InChI Key | XCQJZTPADPFMKR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessulfonesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupvinylogous amidebenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsulfonylorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundsulfone |
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