| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:05 UTC |
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| Update Date | 2025-03-21 18:02:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041117 |
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| Frequency | 83.7 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | CC1(CCC(=O)O)CC(=O)c2c(O)cc(O)cc2O1 |
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| InChI Key | IIBNHBRLZWZSOY-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 benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | carbonyl groupethercarboxylic acidaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidechromonearomatic heteropolycyclic compound1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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