| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:09 UTC |
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| Update Date | 2025-03-25 00:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O4 |
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| Molecular Mass | 258.0892 |
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| SMILES | OCC1(c2ccc(O)cc2)OCc2ccc(O)cc21 |
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| InChI Key | PCPFOZPGVOMCAQ-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 | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsbenzene and substituted derivativesdialkyl ethershydrocarbon derivativesoxacyclic compounds |
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| Substituents | alcoholmonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoiddialkyl etheroxacycleisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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