| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:47 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187147 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O4 |
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| Molecular Mass | 300.1362 |
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| SMILES | CC(C)(C)c1cc(COc2ccc(C(=O)O)cc2)ccc1O |
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| InChI Key | REJPEBKGFSTYML-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativesalkyl aryl ethercarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
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