| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:41 UTC |
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| Update Date | 2025-03-25 00:52:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195889 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | CC1=C(C(=O)O)C(c2ccc(O)cc2)OC1 |
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| InChI Key | MSXLBOZGPPAZCG-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdihydrofuranshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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