| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:34 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O4 |
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| Molecular Mass | 284.1049 |
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| SMILES | O=C(O)CCC(=O)C(O)(c1ccccc1)c1ccccc1 |
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| InChI Key | MCQVPQQDJGHVHE-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 | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesaromatic alcoholscarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | aromatic alcoholfatty acyldiphenylmethanecarbocyclic fatty acidcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidehydroxy fatty acidalcoholgamma-keto acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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