| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:43 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200649 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O6 |
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| Molecular Mass | 316.0947 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(O)c3CCC2=O)cc1O |
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| InChI Key | OHIIPLIBOKALNA-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 ethersanisolescyclic ketoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherbenzoxepine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketone1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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