| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:27 UTC |
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| Update Date | 2025-03-21 18:30:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082469 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C11H16N4O4S |
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| Molecular Mass | 300.0892 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccc(C(N)=O)o1 |
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| InChI Key | VNEWBJVDULIBIX-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 | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesamino acids and derivativesc-nitro compoundscarboxylic acids and derivativesdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundamino acid or derivativesallyl-type 1,3-dipolar organic compoundorganosulfur compoundcarboxylic acid derivative2-heteroaryl carboxamideorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminefuroic acid or derivativessulfenyl compounddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminecarboxamide groupoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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