| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:24 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8O4 |
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| Molecular Mass | 204.0423 |
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| SMILES | O=C(O)C1(O)C=Cc2ccccc2C1=O |
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| InChI Key | NELCASCCBVWVHJ-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 | acyloinsalpha hydroxy acids and derivativesaryl alkyl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaryl alkyl ketonealpha-hydroxy acidaromatic homopolycyclic compoundhydroxy acidcarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinhydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compoundaryl ketone |
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