| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:23 UTC |
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| Update Date | 2025-03-25 00:47:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158842 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O6 |
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| Molecular Mass | 304.0947 |
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| SMILES | Oc1ccc(C2C(O)Cc3c(O)cc(O)cc3OC2O)cc1 |
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| InChI Key | JNKIPEPDQWUSKB-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 benzenoidsbenzene and substituted derivativeshemiacetalshydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietybenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholphenolhemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
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