| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:56 UTC |
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| Update Date | 2025-03-25 00:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151002 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C45H46N4O16 |
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| Molecular Mass | 898.2909 |
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| SMILES | CC1=C(CCC(=O)O)N=C2C=c3[nH]c(c(CC(=O)O)c3CCC(=O)O)=CC3=NC(=Cc4[nH]c(c(CCC(=O)O)c4CC(=O)O)C=C1C(C)=C2CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O |
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| InChI Key | QURRPWZYLVNJQD-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 | azacyclic compoundsazepinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleimineheteroaromatic compoundorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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