| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:26 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234292 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24O8 |
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| Molecular Mass | 368.1471 |
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| SMILES | Cc1cc(CC2CCC(=O)O2)ccc1OC1C(O)C(O)C(O)C(O)C1O |
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| InChI Key | ZLOICVJTDNUINC-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 | alkyl aryl etherscarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuranstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofurancyclohexanolcyclitol or derivativescyclic alcoholgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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