| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:23 UTC |
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| Update Date | 2025-03-21 18:04:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053653 |
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| Frequency | 60.2 |
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| Structure | |
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| Chemical Formula | C18H26O7 |
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| Molecular Mass | 354.1679 |
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| SMILES | COc1cc(C(O)CO)ccc1OC1OC(C(=O)O)C(C)C(C)C1C |
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| InChI Key | VNBGZPQAQZBPBV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxideacetaloxaneprimary alcohol1,2-diolalcoholpyran carboxylic acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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