| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:55 UTC |
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| Update Date | 2025-03-21 18:35:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107694 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C16H22O3 |
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| Molecular Mass | 262.1569 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCC=O)O2 |
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| InChI Key | ACNOKDPTRWNKOD-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 ethersalpha-hydrogen aldehydesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupether1-benzopyranaldehydealkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalpha-hydrogen aldehydehydrocarbon derivativebenzenoidorganooxygen compound |
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