| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22O11 |
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| Molecular Mass | 414.1162 |
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| SMILES | COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)CCC(O)(C(=O)O)C2 |
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| InChI Key | AHCNCMPAANDGBM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersalkyl glycosidesalpha hydroxy acids and derivativesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesnaphthalenecarboxylic acidso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstertiary alcoholstetralins |
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| Substituents | tetralinfatty acyl glycoside of mono- or disaccharidephenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesalpha-hydroxy acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycletertiary alcoholorganic oxygen compoundpyrananisole2-naphthalenecarboxylic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid2-naphthalenecarboxylic acidorganooxygen compoundalkyl glycoside |
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