| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:05 UTC |
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| Update Date | 2025-03-21 18:39:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124829 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | O=C(O)C1(O)Cc2c(O)cc(O)cc2C(O)C1 |
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| InChI Key | VJIGJQJEOUOKOY-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcoholstetralins |
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| Substituents | alcoholtetralincarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compound |
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