| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:54:45 UTC |
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| Update Date | 2025-03-24 22:25:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01189598 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | C=CC1OC(=O)CCC1=O |
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| InChI Key | WPVPNJLNUNCINK-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-acyloxy ketonescarboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | carbonyl groupalpha-acyloxy ketonedelta valerolactonecyclic ketonecarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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