| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:03 UTC |
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| Update Date | 2025-03-25 01:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O4 |
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| Molecular Mass | 238.1205 |
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| SMILES | Cc1c(O)cc2c(c1C)OC(C(O)C(C)O)C2 |
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| InChI Key | CSEGYVIXBKUTCF-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 | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidshydrocarbon derivativesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidcoumaranorganooxygen compound1,2-diol |
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