| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:24 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188531 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O4 |
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| Molecular Mass | 298.1205 |
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| SMILES | CC(CO)Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1 |
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| InChI Key | WOQBCLYCXAFGQB-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 | 1-carboxy-2-haloaromatic compoundsaryl ketonesaryl-phenylketonesbenzoic acidsbenzoyl derivativesdiphenylmethaneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylpropanesprimary alcohols |
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| Substituents | alcoholdiphenylmethanecarboxylic acidaryl-phenylketonebenzoylbenzoic acid or derivativescarboxylic acid derivativebenzophenoneketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidprimary alcoholorganooxygen compoundaryl ketone |
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