| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:07 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235877 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O10 |
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| Molecular Mass | 398.1213 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1OCC(O)(C(=O)O)C(O)C1O |
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| InChI Key | MXTQVHMTVCJPRE-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 | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstertiary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxacycletertiary alcoholorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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