| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:11 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201673 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O4 |
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| Molecular Mass | 272.1049 |
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| SMILES | Cc1c(CCC(=O)O)cc2ccccc2c1CC(=O)O |
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| InChI Key | CXAUEKMQKGRMMW-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 compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl grouporganic oxidenaphthalenecarboxylic acidorganic oxygen compounddicarboxylic acid or derivativesaromatic homopolycyclic compoundhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
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