| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:30 UTC |
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| Update Date | 2025-03-25 00:54:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO |
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| Molecular Mass | 215.131 |
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| SMILES | CC1(C)Cc2cc(C#N)ccc2C(C)(C)O1 |
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| InChI Key | MJYALTPQLJYTBC-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 | 2-benzopyrans |
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| Direct Parent | 2-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidsdialkyl ethershydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | ethernitriledialkyl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compound2-benzopyranorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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