| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:56 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203364 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O9S |
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| Molecular Mass | 434.0672 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)cc(S(=O)O)c2ccccc23)C(O)C(O)C1O |
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| InChI Key | OFFDUQNYTIZAPR-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthaleneso-glucuronidesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssulfinic acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativessulfinic acid derivativeo-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidsulfinic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholphenanthrenepyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compound |
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