| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:34:03 UTC |
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| Update Date | 2025-03-25 01:06:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02279202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | CC1OC(=O)C2CCC1C2 |
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| InChI Key | SISMZMAUVFMCPV-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 heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesoxepanes |
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| Substituents | carbonyl groupdelta valerolactonecarboxylic acid derivativealiphatic heteropolycyclic compoundoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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