| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:27 UTC |
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| Update Date | 2025-03-25 00:48:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168080 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H24N2O3S |
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| Molecular Mass | 300.1508 |
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| SMILES | CC(CNCCSCc1ccc(CN(C)C)o1)C(=O)O |
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| InChI Key | GYWYKBFHSGMHLJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaralkylaminescarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstrialkylamines |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminesecondary aminebeta amino acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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