| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177692 |
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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 | COc1cc(C2c3c(O)cc(O)cc3OC2(C)O)ccc1O |
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| InChI Key | AFZUYOZCWFIFDB-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 | coumarans |
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| Subclass | 1-phenylcoumarans |
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| Direct Parent | 1-phenylcoumarans |
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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 ethersanisoleshemiacetalshydrocarbon derivativesmethoxybenzenesmethoxyphenolsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundanisolephenolhemiacetalhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound1-phenylcoumaran |
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