| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:09 UTC |
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| Update Date | 2025-03-21 18:06:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064875 |
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| Frequency | 47.3 |
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| Structure | |
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| Chemical Formula | C13H18O2 |
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| Molecular Mass | 206.1307 |
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| SMILES | CC(=O)OCCc1c(C)ccc(C)c1C |
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| InChI Key | XHTNABIUTUQBMH-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
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