| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:50 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H39N3O6 |
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| Molecular Mass | 501.2839 |
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| SMILES | CCC1C(=O)NC(Cc2[nH]c(Cc3[nH]c(C(C)O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C |
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| InChI Key | SAWDLQPCVVNDJA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcohol2-pyrrolidonecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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