| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:41 UTC |
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| Update Date | 2025-03-21 18:35:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104683 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C28H29N3O7 |
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| Molecular Mass | 519.2006 |
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| SMILES | C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=CC(=O)O)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O |
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| InChI Key | RHIAQYPFWRITHD-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundiminetricarboxylic acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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