| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:25 UTC |
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| Update Date | 2025-03-25 00:52:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C38H40N4O8 |
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| Molecular Mass | 680.2846 |
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| SMILES | CC1=Cc2c(C)c(CCC(=O)O)c(c(C)c2CCC(=O)O)C=C2N=C(C=c3[nH]c(c(CCC(=O)O)c3C)=CC3=NC3=N1)C(C)=C2CCC(=O)O |
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| InChI Key | HFNWEOCSMLGXDE-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 | azacyclic compoundsazirinesbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleimineheteroaromatic compoundtetracarboxylic acid or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazirine |
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