| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:56 UTC |
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| Update Date | 2025-03-21 18:29:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076394 |
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| Frequency | 38.6 |
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| Structure | |
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| Chemical Formula | C25H31NO9 |
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| Molecular Mass | 489.1999 |
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| SMILES | COc1ccc2c3c1OC1C(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC4C(C2)N(C)CCCC341 |
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| InChI Key | LJTCYNRVSUPKEH-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 ethersamino acidsanisolesazacyclic compoundsazepanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumaransglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstetralinstrialkylamines |
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| Substituents | tetralinphenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesamino acid or derivativesamino acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanetertiary amineorganoheterocyclic compoundcoumaranalcoholphenanthrenepyran carboxylic acid or derivativesazacycletertiary aliphatic aminehydroxy acidoxacyclemonocarboxylic acid or derivativesazepaneorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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