| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:51 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O11 |
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| Molecular Mass | 402.1162 |
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| SMILES | COc1cc(C(O)CC(=O)C(=O)O)ccc1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | STEVLUWVTVJERB-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 ketonesalpha-keto acids and derivativesaromatic alcoholsbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholbeta-hydroxy ketonemonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxideacetalalpha-keto acidoxaneprimary alcoholorganoheterocyclic compoundalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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