| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:37:41 UTC |
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| Update Date | 2025-03-24 21:42:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01866912 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C48H43N5O18 |
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| Molecular Mass | 977.2603 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=NC1=Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C=C(C(=O)O)N=C1N=C(C=c3[nH]c(c(CCC(=O)O)c3CC(=O)O)=C2)C(CCC(=O)O)=C(CC(=O)O)c2ccccc21 |
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| InChI Key | DMUHNEVWRYBMCM-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 | alpha amino acidsazacyclic compoundsazepinesbenzazepinesbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminealpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundazepinehydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineorganooxygen compound |
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