| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187324 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O3 |
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| Molecular Mass | 234.1256 |
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| SMILES | CC(=O)c1c(C)c2c(c(C)c1O)C(C)(C)CO2 |
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| InChI Key | BDKRBYVNBRITCM-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 | benzene and substituted derivatives |
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| Subclass | acetophenones |
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| Direct Parent | acetophenones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesbenzenoidscoumaranshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | etheraryl alkyl ketonealkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundacetophenonehydrocarbon derivativeorganoheterocyclic compoundcoumaranorganooxygen compoundaryl ketone |
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