| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:29 UTC |
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| Update Date | 2025-03-25 00:49:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174992 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O3 |
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| Molecular Mass | 220.1099 |
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| SMILES | CCCCCC(=O)c1ccc2c(c1)OCO2 |
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| InChI Key | PCYIIHKPPDXSIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsaryl alkyl ketonesbenzenoidsbenzodioxoleshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aryl alkyl ketoneketonebutyrophenoneoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundaryl ketonebenzodioxole |
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