Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:54 UTC |
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Update Date | 2025-03-21 18:36:19 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00110110 |
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Frequency | 24.2 |
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Structure | |
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Chemical Formula | C6H8O4 |
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Molecular Mass | 144.0423 |
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SMILES | O=C(O)C1CCCOC1=O |
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InChI Key | QVUCXBYAMWGYNA-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 | lactones |
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Subclass | delta valerolactones |
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Direct Parent | delta valerolactones |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | 1,3-dicarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanes |
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Substituents | carbonyl groupcarboxylic aciddelta valerolactonecarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundoxanedelta_valerolactoneorganooxygen compound |
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