| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:11 UTC |
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| Update Date | 2025-03-21 18:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093653 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C26H26O5 |
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| Molecular Mass | 418.178 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C(Cc2cccc(O)c2)C1Cc1cccc(O)c1 |
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| InChI Key | BRUWHARPPWSBCB-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesiridoids and derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidaromatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneterpene lactoneorganic oxideoxanedelta_valerolactoneorganoheterocyclic compoundsecoiridoid-skeleton1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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