| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:13 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151623 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C37H36N4O8 |
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| Molecular Mass | 664.2533 |
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| SMILES | C=Cc1c(C)c2c(C)c(CCC(=O)O)c1C=C1N=C(C=c3[nH]c(c(C)c3CCC(=O)O)=CC3=NC3=NC(C(=O)O)=C2)C(C)=C1CCC(=O)O |
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| InChI Key | LSNLPXOUIJTWPS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsazirinesbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminealpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundtetracarboxylic acid or derivativesorganic 1,3-dipolar compoundorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazirine |
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