| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:02 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249463 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O9 |
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| Molecular Mass | 330.0951 |
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| SMILES | COc1cc(CC(=O)O)ccc1OC1C(O)OC(O)C(O)C1O |
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| InChI Key | NFMLWXALMIFROF-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 | 1,2-diolsalkyl aryl etherscarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxidehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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