| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:21 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO3S |
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| Molecular Mass | 229.0773 |
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| SMILES | CSCCc1ccc(CC(N)C(=O)O)o1 |
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| InChI Key | CTXWQIBZJXAZJM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | furanoid fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundfuranoid fatty acidsulfenyl compounddialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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