| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:39:36 UTC |
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| Update Date | 2025-03-21 17:58:27 UTC |
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| HMDB ID | HMDB0304122 |
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| Metabolite Identification |
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| DeepMet ID | DMID00014532 |
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| Name | 3-dehydroshikimate |
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| Frequency | 302.9 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C(O)C1=CC(=O)C(O)C(O)C1 |
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| InChI Key | SLWWJZMPHJJOPH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcyclohexenonecarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative1,2-diol |
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