| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:17 UTC |
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| Update Date | 2025-03-25 00:53:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O3 |
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| Molecular Mass | 258.1256 |
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| SMILES | COC(=O)CCC(O)Cc1ccc2ccccc2c1 |
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| InChI Key | YJZVMWJYJNNWEP-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylcarbonyl grouparomatic homopolycyclic compoundcarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esternaphthaleneorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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