| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:00 UTC |
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| Update Date | 2025-03-21 18:04:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052779 |
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| Frequency | 61.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | O=C(O)C1CCCc2cc(O)c(O)cc21 |
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| InChI Key | XELHHANJPWJMBX-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-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestetralins |
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| Substituents | tetralincarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compound1-naphthalenecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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