| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:44 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H29NO17 |
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| Molecular Mass | 639.1435 |
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| SMILES | COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3NC2=O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | AICBKLNZPWNKSV-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 | acetalsalkyl aryl ethersanisolesazacyclic compoundsbenzomorpholinesbenzoxazinonesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeslactamsmethoxybenzenesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbenzomorpholine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclebenzoxazinehydroxy acidcarboxamide groupmethoxybenzeneoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinonepyrananisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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