| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:42 UTC |
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| Update Date | 2025-03-25 00:56:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216814 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H39N3O9 |
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| Molecular Mass | 633.2686 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(COC(=O)c3ccccc3C(=O)O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | PPOKZPCBWKBPQF-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 | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzoate esterorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compoundazacycleheteroaromatic compoundbenzoic acid or derivativestetracarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinecarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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