| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:48 UTC |
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| Update Date | 2025-03-25 00:47:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161980 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H16O10 |
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| Molecular Mass | 428.0743 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(=O)oc4ccc(O)c5ccc2c3c45)C(O)C(O)C1O |
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| InChI Key | NGCQHQOUYJMBEW-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 | phenanthrols |
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| Direct Parent | phenanthrols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumarins and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesnaphthols and derivativeso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesphenanthrolheteroaromatic compoundhydroxy acidisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivative1-naphtholorganooxygen compound |
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