| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:27 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220921 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H16O4 |
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| Molecular Mass | 308.1049 |
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| SMILES | O=C1CCC2=C1C(c1ccc(O)cc1)COc1cc(O)ccc12 |
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| InChI Key | DKGPTVMKDUIHIH-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 benzenoidsalkyl aryl ethersbenzene and substituted derivativeshydrocarbon derivativesketonesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupetherbenzoxepine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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