| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:03 UTC |
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| Update Date | 2025-03-21 18:41:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136442 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C19H24N2O9 |
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| Molecular Mass | 424.1482 |
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| SMILES | COc1cc2[nH]cc(CCNC(C)=O)c2cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | LTUGQEBQHOESDW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsacetamidesalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidindoleo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrananisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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