| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:02 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26N4O8S |
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| Molecular Mass | 446.1471 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NC2OC(C(=O)O)C(O)C2O)o1 |
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| InChI Key | MMYNEMJCMUWEKS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsamino acidsaralkylaminesbeta hydroxy acids and derivativesc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfenyl compoundstetrahydrofuranstrialkylamines |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidallyl-type 1,3-dipolar organic compoundmonosaccharideorganosulfur compoundaralkylamineorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidsaccharideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganic oxoazaniumtertiary amineorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic aminesulfenyl compoundtetrahydrofurandialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundhydroxy acidsecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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