| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:14 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O4 |
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| Molecular Mass | 232.0736 |
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| SMILES | COc1ccc2c(OC)c(C(=O)O)ccc2c1 |
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| InChI Key | PGEWIOIQVUBIQJ-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 | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisoleshydrocarbon derivativesmonocarboxylic acids and derivativeso-methoxybenzoic acids and derivativesorganic oxides |
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| Substituents | phenol etherethercarboxylic acidaromatic homopolycyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleo-methoxybenzoic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compound2-naphthalenecarboxylic acidorganooxygen compound |
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