| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:39 UTC |
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| Update Date | 2025-03-25 00:56:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H44N2O7 |
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| Molecular Mass | 568.3149 |
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| SMILES | CCC1C(Cc2[nH]c(Cc3c(CCC(=O)O)c(C)c(C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)C1C |
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| InChI Key | ZBGZFLYSNAFCRC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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