| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:29 UTC |
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| Update Date | 2025-03-25 00:52:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H31N3O6 |
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| Molecular Mass | 529.2213 |
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| SMILES | C=CC1=C(C)C(CCC(=O)O)=C2N=C2C=c2[nH]c(c(C)c2CCC(=O)O)=CC2=NC(=C1)C(C)=C2CCC(=O)O |
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| InChI Key | NINXXJLKFWPZSO-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazirinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleimineheteroaromatic compoundtricarboxylic acid or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazirine |
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