| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:43 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221530 |
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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 | O=C(O)CCCC(O)c1cccc(C(=O)c2ccccc2)c1 |
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| InChI Key | CSVMUKFGZUVTPI-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 | aromatic alcoholsaryl ketonesaryl-phenylketonesbenzoyl derivativescarbocyclic fatty acidscarboxylic acidsdiphenylmethaneshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholfatty acyldiphenylmethanecarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoylfatty acidcarboxylic acid derivativemedium-chain hydroxy acidbenzophenoneketoneorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholaryl-phenylketonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundaryl ketone |
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