| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:41 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237148 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8O5 |
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| Molecular Mass | 232.0372 |
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| SMILES | O=C(O)C(=O)CC(=O)c1cccc2occc12 |
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| InChI Key | IGEWJJNUGBKAEA-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzenoidsbenzofuranscarboxylic acidsfuransgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaryl alkyl ketonebenzofuranheteroaromatic compoundalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketonebutyrophenoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundketo acidalpha-keto acidhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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