Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 01:42:58 UTC |
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Update Date | 2025-03-21 20:01:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00303281 |
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Frequency | 6.5 |
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Structure | |
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Chemical Formula | C6H8O3 |
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Molecular Mass | 128.0473 |
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SMILES | O=C1CCCC(=O)OC1 |
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InChI Key | FPTSIUSHZKXOIV-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 | lactones |
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Direct Parent | lactones |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | alpha-acyloxy ketonescarboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanes |
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Substituents | caprolactonecarbonyl groupalpha-acyloxy ketonecyclic ketonecarboxylic acid derivativeketonelactoneoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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