Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:42:57 UTC |
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Update Date | 2025-03-25 00:47:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02162302 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H14O6 |
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Molecular Mass | 254.079 |
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SMILES | O=C(O)CC1(O)c2ccccc2C(O)C(O)C1O |
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InChI Key | JEIDHVJPEJQYGK-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 | tetralins |
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Subclass | tetralins |
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Direct Parent | tetralins |
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Geometric Descriptor | aromatic homopolycyclic compounds |
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Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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Substituents | alcoholtetralincarbonyl groupcarboxylic acidaromatic homopolycyclic compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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