| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:42 UTC |
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| Update Date | 2025-03-21 18:06:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063828 |
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| Frequency | 48.3 |
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| Structure | |
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| Chemical Formula | C17H18O7 |
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| Molecular Mass | 334.1053 |
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| SMILES | COc1cc(C2Oc3cc(O)cc(O)c3CC(O)C2O)ccc1O |
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| InChI Key | KAOPRVSIFKXPIQ-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyetherbenzoxepine1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound1,2-diol |
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