| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:38 UTC |
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| Update Date | 2025-03-21 18:35:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104544 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C23H20O8 |
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| Molecular Mass | 424.1158 |
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| SMILES | COc1ccc2ccc3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)c4ccc1c2c34 |
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| InChI Key | NJNBSOPRZWZZCQ-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 | pyrenes |
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| Subclass | pyrenes |
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| Direct Parent | pyrenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthaleneso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenanthrenes and derivativespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholphenanthrenepyran carboxylic acid or derivativeshydroxy acidoxacyclepyrenemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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