| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:02 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO4S |
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| Molecular Mass | 259.0878 |
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| SMILES | O=C(O)CCSCCn1c(CO)ccc1CO |
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| InChI Key | FVIUSJKUORXLGO-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 | pyrroles |
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| Subclass | substituted pyrroles |
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| Direct Parent | substituted pyrroles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherheteroaromatic compoundsubstituted pyrroleorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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