| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:35 UTC |
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| Update Date | 2025-03-21 18:40:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128461 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | CC1=C(O)C(=O)OC1Cc1ccc(O)c(O)c1 |
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| InChI Key | HEJBJRLYCZHOAK-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-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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