| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:22 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183857 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O11 |
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| Molecular Mass | 462.1162 |
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| SMILES | O=C1CC(c2ccc(O)cc2O)Cc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)c21 |
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| InChI Key | OOPSUUJRTKOYNW-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 | naphthalenes |
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| Subclass | phenylnaphthalenes |
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| Direct Parent | phenylnaphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidsresorcinolssecondary alcoholstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidresorcinolketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranphenylnaphthalenesecondary alcoholphenolhydrocarbon derivativeorganooxygen compoundaryl ketone |
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