| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:02:03 UTC |
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| Update Date | 2025-03-25 01:40:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02484104 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C49H62N4O12 |
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| Molecular Mass | 898.4364 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2c(C)c(CCC(=O)O)c(Cc3[nH]c(CC4NC(=O)C(C)=C4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | QGULONXSISVOKM-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic 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 amidestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide grouppentacarboxylic acid or derivativessecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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