| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:46 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202984 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O12 |
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| Molecular Mass | 440.0955 |
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| SMILES | O=C1C2=CC(O)CC(O)C2Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c21 |
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| InChI Key | GYMYXJLUDRWSLC-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 | xanthones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersaryl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundoxanealcoholxanthonepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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