| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:01 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201325 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O6 |
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| Molecular Mass | 330.1103 |
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| SMILES | COc1ccc(C(C)C2CC(=O)c3c(O)cc(O)cc3O2)cc1O |
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| InChI Key | MJIGKDBJIRGSHK-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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