| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:34 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O5 |
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| Molecular Mass | 222.0528 |
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| SMILES | O=C(O)CC1C(=O)OCc2cccc(O)c21 |
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| InChI Key | BXCATMBUSKPHGI-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 | 2-benzopyrans |
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| Direct Parent | 2-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid ester2-benzopyrandicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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