| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:00 UTC |
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| Update Date | 2025-03-25 01:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253908 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H36N4O4 |
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| Molecular Mass | 552.2737 |
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| SMILES | C=Cc1c(C)c2[nH]c1=CC1=NC(=Cc3[nH]c(c(C)c3CCC(=O)O)C=C(C(C)=C3CCN3)C=2)C(C)=C1CCC(=O)O |
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| InChI Key | QRYGWAMFCUTIGW-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsecondary aliphatic amineazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary amineazetidineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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