| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:18 UTC |
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| Update Date | 2025-03-21 18:39:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127774 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C17H16O5 |
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| Molecular Mass | 300.0998 |
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| SMILES | COc1ccc(C2COc3cc(O)cc(O)c3C(=O)C2)cc1 |
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| InChI Key | RTHYELWWGODFBB-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 ethersanisolesaryl alkyl ketoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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