| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:48 UTC |
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| Update Date | 2025-03-25 00:45:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H39N3O8 |
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| Molecular Mass | 605.2737 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(Cc3cccc(O)c3C(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | UEGKDMXLSRIYTG-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous acids |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativessalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundazacycleheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundpyrrolinepyrrolephenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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