| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:22 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181660 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O8 |
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| Molecular Mass | 348.0845 |
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| SMILES | O=C(O)C1(O)Cc2c(O)cc(O)cc2C(c2ccc(O)c(O)c2)C1O |
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| InChI Key | NTKNISMCSIEWHD-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 derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcoholstetralins |
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| Substituents | tetralinmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxide1,2-diolalcoholaromatic homopolycyclic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivative2-naphthalenecarboxylic acidorganooxygen compound |
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