| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:29 UTC |
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| Update Date | 2025-03-21 18:39:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125825 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C8H12O8 |
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| Molecular Mass | 236.0532 |
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| SMILES | O=C1CC(O)(C(=O)O)C(O)C(C(O)CO)O1 |
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| InChI Key | LCOQLBDDMAZDCC-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 | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonealpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundoxaneprimary alcoholdelta_valerolactonealcoholhydroxy acidoxacycletertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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