| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:40 UTC |
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| Update Date | 2025-03-21 18:07:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068534 |
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| Frequency | 44.2 |
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| Structure | |
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| Chemical Formula | C21H20O8 |
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| Molecular Mass | 400.1158 |
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| SMILES | COc1ccc2ccc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3c2c1 |
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| InChI Key | GRDJCTJVFMKYPP-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 | phenanthrenes and derivatives |
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| Subclass | phenanthrenes and derivatives |
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| Direct Parent | phenanthrenes and derivatives |
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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 compoundsoxanespyran 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 acidoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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