| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:32 UTC |
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| Update Date | 2025-03-21 18:37:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116472 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C12H10O6 |
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| Molecular Mass | 250.0477 |
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| SMILES | O=C(O)CCc1cc(=O)c2c(O)cc(O)cc2o1 |
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| InChI Key | BEALIPDASYMARJ-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 | chromones |
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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 acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspyranones and derivativesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacyclevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundchromonearomatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganooxygen compound |
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