| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:46 UTC |
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| Update Date | 2025-03-25 00:47:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161895 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H20O8 |
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| Molecular Mass | 436.1158 |
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| SMILES | O=C(O)C1OC(Oc2ccc3ccc4c5ccccc5ccc4c3c2O)C(O)C(O)C1O |
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| InChI Key | LUBOUXLOBFCXOG-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 | chrysenes |
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| Direct Parent | chrysenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthols and derivativeso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenanthrolsphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidechrysenecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesphenanthrolhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivative1-naphtholorganooxygen compound |
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