| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:21 UTC |
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| Update Date | 2025-03-21 18:39:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125498 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C12H17N3O5S |
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| Molecular Mass | 315.0889 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CC(=O)O)o1 |
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| InChI Key | YWQPPJROLGNRNL-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 | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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