| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:10 UTC |
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| Update Date | 2025-03-25 00:47:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160571 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H35N5O6 |
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| Molecular Mass | 597.2587 |
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| SMILES | C=CC1=C(C)NC(=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(C=C)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | WSPGFGXXBSNLHK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrroles |
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| Subclass | substituted pyrroles |
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| Direct Parent | dipyrrins |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydropyrimidinesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganonitrogen compoundhydropyrimidineorganopnictogen compoundvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amine1,2,3,4-tetrahydropyrimidinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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