| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:30 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O6 |
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| Molecular Mass | 328.0947 |
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| SMILES | O=C1OC(Cc2cccc(O)c2)C(=O)C1Cc1ccc(O)c(O)c1 |
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| InChI Key | NLSRDBGWOOLQKH-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acid esterscyclic ketonesfuranonesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactoneketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivative1,3-dicarbonyl compound3-furanoneorganoheterocyclic compoundorganooxygen compound |
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