| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:45 UTC |
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| Update Date | 2025-03-21 18:04:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049940 |
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| Frequency | 65.9 |
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| Structure | |
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| Chemical Formula | C7H8O7 |
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| Molecular Mass | 204.027 |
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| SMILES | O=C(O)CC(O)C1OC(=O)C(O)=C1O |
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| InChI Key | WBEMBUASQNGGEQ-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | butenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganoheterocyclic compounddihydrofuranenoate esteralcoholoxacyclevinylogous acidorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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