| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:57 UTC |
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| Update Date | 2025-03-25 00:55:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215088 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H32O7 |
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| Molecular Mass | 408.2148 |
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| SMILES | CC1C(Oc2cccc(CC3CCC(O)(C(=O)O)C3)c2)OC(C(O)O)C(C)C1C |
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| InChI Key | YIRYDGFOFKEDLZ-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarbonyl hydratescarboxylic acidscyclic alcohols and derivativescyclopentanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativeorganic oxideacetaloxaneorganoheterocyclic compoundalcoholhydroxy acidcyclic alcoholcyclopentanoloxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativephenoxy compoundorganooxygen compound |
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