| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:55 UTC |
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| Update Date | 2025-03-21 18:28:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071544 |
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| Frequency | 41.9 |
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| Structure | |
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| Chemical Formula | C34H44N2O9 |
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| Molecular Mass | 624.3047 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2c(CCC(=O)O)c(C)c(CCC(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | PLLSDTYMWDDZKM-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolespyrrolinessecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidxyleneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundm-xylenetetracarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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