| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177716 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30O3 |
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| Molecular Mass | 330.2195 |
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| SMILES | Cc1cc2c(cc1C(=O)CC(C)C(=O)O)C(C)(C)C(C)CC2(C)C |
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| InChI Key | NSTQINNCUIJHQA-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 | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestetralins |
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| Substituents | tetralincarbonyl groupcarboxylic acidaryl alkyl ketonearomatic homopolycyclic compoundcarboxylic acid derivativegamma-keto acidketonebutyrophenoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganooxygen compoundaryl ketone |
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