| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:04 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178669 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O7 |
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| Molecular Mass | 218.0427 |
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| SMILES | COC1=C(O)C(=O)OC1C(CO)C(=O)O |
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| InChI Key | JKVIXAYBODZVPN-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 compoundsprimary alcoholsvinylogous esters |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundprimary alcoholorganoheterocyclic compounddihydrofuranenoate esteralcoholvinylogous esteroxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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