| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:37 UTC |
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| Update Date | 2025-03-21 18:33:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094663 |
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| Frequency | 29.4 |
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| Structure | |
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| Chemical Formula | C14H18O10 |
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| Molecular Mass | 346.09 |
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| SMILES | COc1cc(C(O)CO)ccc1OC1OOC(C(=O)O)C(O)C1O |
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| InChI Key | RZSQVDPKIJNNBP-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-dioxanesalkyl aryl ethersaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl peroxideshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidedialkyl peroxideprimary alcoholorganoheterocyclic compoundalcoholhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundortho-dioxaneorganooxygen compound |
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