| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:02 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O10 |
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| Molecular Mass | 446.1213 |
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| SMILES | COc1ccc(CC2Oc3ccccc3C2=O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | QTDHOSZOJPCCKC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | aurone flavonoids |
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| Subclass | aurone flavonoids |
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| Direct Parent | aurone flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesaryl alkyl ketonesbenzofuranonesbeta hydroxy acids and derivativescarboxylic acidscoumaransglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivativesauronebenzofuranoneo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundcoumaranalcoholpyran carboxylic acid or derivativesbenzofuranhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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