| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:39 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O7S |
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| Molecular Mass | 278.046 |
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| SMILES | COC1=C(O)C(CSCCC(O)C(=O)O)OC1=O |
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| InChI Key | BRGMUJDCLTVZQJ-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 | heterocyclic fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbutenolidescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesdihydrofuransenoate estersfatty acylshydrocarbon derivativeshydroxy fatty acidslactonesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acidsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidealiphatic heteromonocyclic compoundhydroxy fatty acidorganoheterocyclic compounddihydrofuranenoate esteralcoholsulfenyl compounddialkylthioetherhydroxy acidoxacyclevinylogous acidthia fatty acidorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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