Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:43:01 UTC |
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Update Date | 2025-03-25 00:47:33 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02162481 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C14H14O8 |
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Molecular Mass | 310.0689 |
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SMILES | O=C(O)C1OC2c3ccc(O)c4c3C2C(O4)C(O)C(O)C1O |
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InChI Key | HHJGFTZBCNJJBB-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organoheterocyclic compounds |
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Class | coumarans |
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Subclass | coumarans |
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Direct Parent | coumarans |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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Substituents | alcoholcarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidhydroxy acidalkyl aryl ethercarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidcoumaranorganooxygen compound |
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