| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:12 UTC |
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| Update Date | 2025-03-25 01:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O5 |
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| Molecular Mass | 280.1311 |
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| SMILES | CC(C(=O)O)c1ccc(C2CC(O)C(C)(CO)O2)cc1 |
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| InChI Key | LJWTUVFRNBBQNR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidep-cymenecarboxylic acid derivativedialkyl ethersaccharideorganic oxide2-phenylpropanoic-acidorganoheterocyclic compoundalcoholtetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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