| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:15 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252260 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O6S |
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| Molecular Mass | 328.0729 |
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| SMILES | NS(=O)(=O)c1ccc2c(c1)CCN2C(CCC(=O)O)C(=O)O |
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| InChI Key | AANZVLICGRUXDP-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaminosulfonyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundsorganosulfonamides |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidindoleorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineorganoheterocyclic compoundazacycleaminosulfonyl compoundindole or derivativesglutamic acid or derivativesamino fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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