| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:20 UTC |
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| Update Date | 2025-03-21 18:37:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113569 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C10H10N2O4S |
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| Molecular Mass | 254.0361 |
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| SMILES | NS(=O)(=O)c1ccc2[nH]cc(CC(=O)O)c2c1 |
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| InChI Key | PFPHJOGVAJWGPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrroles |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidindoleorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleaminosulfonyl compoundheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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