| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:33 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252920 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O4S |
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| Molecular Mass | 259.0627 |
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| SMILES | O=C(O)C(O)CN=C(O)CCc1c[nH]c(=S)[nH]1 |
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| InChI Key | GWRWZHVBWZQCIL-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 | azolines |
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| Subclass | imidazolines |
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| Direct Parent | imidazolethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsthioureas |
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| Substituents | carboximidic acidcarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundazolealcoholazacycleheteroaromatic compoundorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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