| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:07 UTC |
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| Update Date | 2025-03-25 00:56:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215475 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O4 |
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| Molecular Mass | 250.1205 |
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| SMILES | CC1CCC(COc2ccc(C(=O)O)cc2)OC1 |
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| InChI Key | FRNJOHVRGNUCPB-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzoyl derivativescarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidaromatic heteromonocyclic compoundbenzoylalkyl aryl ethercarboxylic acid derivativedialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidphenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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