| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:56 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162264 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O5 |
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| Molecular Mass | 264.0998 |
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| SMILES | O=C(O)CC1(O)C(=O)CCC1Cc1cccc(O)c1 |
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| InChI Key | ZEQPVQZCXWAZOJ-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsacyloinsbenzene and substituted derivativescarboxylic acidscyclic alcohols and derivativescyclic ketonescyclopentanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcarboxylic acid derivativecyclopentanolketonearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinhydrocarbon derivativeorganooxygen compound |
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