| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:05 UTC |
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| Update Date | 2025-03-21 17:58:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015604 |
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| Frequency | 277.6 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | O=C1CCOc2cc(O)cc(O)c21 |
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| InChI Key | NDDUBDUPYJZIAK-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 compoundsvinylogous acids |
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| Substituents | etheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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