| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:07 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181072 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O5 |
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| Molecular Mass | 312.0998 |
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| SMILES | O=C(O)CC(O)CC(=O)c1cccc(C(=O)c2ccccc2)c1 |
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| InChI Key | LMQRHBHTXMZZAS-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 | benzophenones |
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| Direct Parent | benzophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl-phenylketonesaryl alkyl ketonesaryl-phenylketonesbenzoyl derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbutyrophenonescarbocyclic fatty acidscarboxylic acidsdiphenylmethaneshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acyldiphenylmethanebeta-hydroxy ketonecarbocyclic fatty acidcarbonyl groupcarboxylic acidaryl alkyl ketonebenzoylfatty acidcarboxylic acid derivativemedium-chain hydroxy acidbenzophenoneketonebeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholaryl-phenylketonehydroxy acidphenylketonebutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativealkyl-phenylketoneorganooxygen compoundaryl ketone |
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