| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:41 UTC |
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| Update Date | 2025-03-21 18:30:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082999 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C14H21NO2 |
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| Molecular Mass | 235.1572 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CN)O2 |
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| InChI Key | KRNBXCXRAYRRRP-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 | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | ether1-benzopyranalkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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