| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:47 UTC |
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| Update Date | 2025-03-21 18:31:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087908 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C16H12O6 |
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| Molecular Mass | 300.0634 |
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| SMILES | O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c2C1=O |
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| InChI Key | MQMOPNIJVDDSRM-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 | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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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 ketonesbenzene and substituted derivativescyclic ketoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupetherbenzoxepine1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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