| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:50 UTC |
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| Update Date | 2025-03-25 00:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230593 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O4S |
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| Molecular Mass | 285.0783 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1cccc(=O)o1 |
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| InChI Key | UEUSFGHRAYAYOY-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 | pyrans |
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| Subclass | pyranones and derivatives |
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| Direct Parent | pyranones and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | c-nitro compoundsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundlactoneorganic oxidec-nitro compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amineoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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