| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:45 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221591 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O8 |
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| Molecular Mass | 284.0532 |
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| SMILES | O=C(O)CC1CC(O)(C(=O)O)Oc2cc(O)cc(O)c21 |
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| InChI Key | MMCGTRZAVKGCOZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid1-benzopyranalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compounddicarboxylic acid or derivativeshemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
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