| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:42 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157341 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O7S |
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| Molecular Mass | 250.0147 |
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| SMILES | O=C1OC(CSCC(O)C(=O)O)C(O)=C1O |
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| InChI Key | OQIYRRBUXDIUJM-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 | dihydrofurans |
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| Subclass | furanones |
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| Direct Parent | butenolides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholssulfenyl compoundsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidealiphatic heteromonocyclic compoundenoate esteralcoholsulfenyl compounddialkylthioetherhydroxy acidoxacyclevinylogous acidorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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