| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:27 UTC |
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| Update Date | 2025-03-25 00:52:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O4 |
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| Molecular Mass | 274.1205 |
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| SMILES | CC1=CCc2c(C)c(CCC(=O)O)c(C)c(O)c2C1=O |
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| InChI Key | KVTBSKKYSREMNK-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 | aryl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativeketonevinylogous acidorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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