| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:20 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163188 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H32N4O5S |
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| Molecular Mass | 548.2093 |
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| SMILES | C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC=CS4)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | MJOWTPGCBAYFTJ-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidesthiazolinesthioenol ethers |
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| Substituents | carbonyl grouplactamcarboxylic acidmeta-thiazolinearomatic heteromonocyclic compoundamino acid or derivativesamino acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidethioenoletherorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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