| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:03 UTC |
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| Update Date | 2025-03-25 00:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219993 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O3 |
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| Molecular Mass | 216.0786 |
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| SMILES | COC(=O)Cc1ccc2ccc(O)cc2c1 |
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| InChI Key | PUBJFUPELNLFNA-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 | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl group1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivative2-naphtholorganooxygen compound |
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