| 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 | DMID02216816 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H39ClN4O5 |
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| Molecular Mass | 594.2609 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CNc3ccc(Cl)cc3)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | VQCSIDYNMHYBRV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganopnictogen compoundspyrrolespyrrolinessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganopnictogen compoundorganoheterocyclic compoundaryl chloridechlorobenzeneazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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