Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:54:32 UTC |
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Update Date | 2025-03-25 00:51:42 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02188834 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C7H12O5 |
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Molecular Mass | 176.0685 |
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SMILES | CC(O)C1(O)CC(O)CC(=O)O1 |
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InChI Key | DQOIPKIUKCPHBN-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 | carbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhemiacetalhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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