| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:21 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225208 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O6 |
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| Molecular Mass | 294.1103 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)C(O)C2CCC(=O)O2)cc1 |
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| InChI Key | NOFJQYMMDHTAKJ-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 | 1,2-diolsaromatic alcoholsaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundsphenylpropanoic acidssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundp-cymenecarboxylic acid derivativelactoneterpene lactoneorganic oxide2-phenylpropanoic-acidorganoheterocyclic compound1,2-diolalcoholtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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