| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:20 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183780 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O9 |
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| Molecular Mass | 402.0951 |
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| SMILES | O=C1CCC(=O)c2c1ccc1ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc21 |
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| InChI Key | LGQZGBJMUUSBAI-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 | acetalsaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnaphthoquinoneso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidsquinonessecondary alcoholstetralins |
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| Substituents | tetralinphenol ethercarbonyl groupcarboxylic acidaryl alkyl ketoneglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholphenanthrenepyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativenaphthoquinoneorganooxygen compoundaryl ketonequinone |
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