| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:48 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O4 |
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| Molecular Mass | 312.1362 |
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| SMILES | Oc1cccc(CC2CCC(c3ccc4c(c3)OCO4)OC2)c1 |
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| InChI Key | PKCFIVHVPSQMPK-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesdialkyl ethershydrocarbon derivativesoxacyclic compoundsoxanes |
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| Substituents | monocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoiddialkyl etheroxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidoxaneorganooxygen compoundbenzodioxole |
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