| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:44 UTC |
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| Update Date | 2025-03-21 17:56:15 UTC |
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| HMDB ID | HMDB0012308 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000810 |
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| Name | Vanillin |
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| Frequency | 6891.0 |
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| Structure | |
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| Chemical Formula | C8H8O3 |
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| Molecular Mass | 152.0473 |
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| SMILES | COc1cc(C=O)ccc1O |
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| InChI Key | MWOOGOJBHIARFG-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativeshydrocarbon derivativeshydroxybenzaldehydesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetherbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolaldehydealkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundbenzaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundhydroxybenzaldehydeorganooxygen compound |
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