| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:38 UTC |
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| Update Date | 2025-03-21 18:06:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066064 |
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| Frequency | 46.2 |
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| Structure | |
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| Chemical Formula | C9H8O5 |
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| Molecular Mass | 196.0372 |
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| SMILES | O=C1c2c(O)cc(O)cc2OCC1O |
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| InChI Key | BILGYFCIODXDLL-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 ketonesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholsvinylogous acids |
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| Substituents | alcoholetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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