| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:46 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O4 |
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| Molecular Mass | 218.0579 |
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| SMILES | O=C1CC(Cc2ccccc2)OC(=O)C1=O |
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| InChI Key | QBDBBXPYSNTYQX-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactonecyclic ketonecarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
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