| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:42 UTC |
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| Update Date | 2025-03-21 18:29:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078260 |
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| Frequency | 37.4 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | CC(C(=O)O)c1ccc(C2CCC(=O)O2)cc1 |
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| InChI Key | NEYIKNUZGIYEOF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | terpene lactones |
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| Direct Parent | terpene lactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundsphenylpropanoic acidstetrahydrofurans |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuranp-cymenecarboxylic acid derivativegamma butyrolactonelactoneterpene lactoneoxacycleorganic oxideorganic oxygen compound2-phenylpropanoic-acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaromatic monoterpenoid |
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