| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:25:43 UTC |
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| Update Date | 2025-03-21 18:39:05 UTC |
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| HMDB ID | HMDB0040823 |
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| Metabolite Identification |
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| DeepMet ID | DMID00123975 |
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| Name | (S)-11,12,13-Trinor-7-calamenone |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C12H14O |
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| Molecular Mass | 174.1045 |
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| SMILES | Cc1ccc2c(c1)C(=O)CCC2C |
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| InChI Key | SQESYXTWWGWCFK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | tetralins |
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| Subclass | tetralins |
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| Direct Parent | tetralins |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl alkyl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | ketonetetralinorganic oxidearyl alkyl ketoneorganic oxygen compoundaromatic homopolycyclic compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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