| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:41 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059029 |
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| Frequency | 53.4 |
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| Structure | |
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| Chemical Formula | C34H34N4O4 |
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| Molecular Mass | 562.258 |
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| SMILES | C=Cc1c(C)c2cc3nc(cc4c(C=C)c(C)c(cc1[nH]2)nc1cc(c(C)c4CCC(=O)O)N1)C(CCC(=O)O)=C3C |
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| InChI Key | XNPHOKNVMJOIML-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrrolessecondary amines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
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