| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:35 UTC |
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| Update Date | 2025-03-21 17:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021099 |
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| Frequency | 190.2 |
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| Structure | |
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| Chemical Formula | C11H17N3O4S |
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| Molecular Mass | 287.094 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CO)o1 |
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| InChI Key | ZHXQPISIHVWISX-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 | aromatic alcoholsc-nitro compoundsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aromatic alcoholfuranaromatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumalcoholsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amineoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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