| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:21 UTC |
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| Update Date | 2025-03-21 18:05:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058256 |
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| Frequency | 54.3 |
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| Structure | |
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| Chemical Formula | C17H16O6 |
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| Molecular Mass | 316.0947 |
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| SMILES | COc1cc(CC2CC(=O)c3c(O)cc(O)cc3O2)ccc1O |
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| InChI Key | OJROOVIOZKJVSA-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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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 derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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