| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:33 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O7 |
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| Molecular Mass | 254.0427 |
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| SMILES | O=C1c2c(O)cc(O)cc2CC(O)(C(=O)O)C1O |
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| InChI Key | SNVVQLSLBMCYFM-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcoholstetralinsvinylogous acids |
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| Substituents | tetralincarbonyl groupcarboxylic acidaryl alkyl ketonealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketonebeta-hydroxy acidorganic oxide1,2-diolalcoholaromatic homopolycyclic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidvinylogous acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compoundaryl ketone |
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