| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:23 UTC |
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| Update Date | 2025-03-25 00:53:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197505 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4 |
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| Molecular Mass | 172.0736 |
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| SMILES | CC=CC1(O)CC(=O)OCC1O |
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| InChI Key | PVXYBCGVNLRZEK-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 | 1,2-diolscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativeoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound1,2-diol |
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