| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:39 UTC |
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| Update Date | 2025-03-25 00:47:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C43H45N3O12 |
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| Molecular Mass | 795.3003 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3c(CCC(=O)O)c(C)c(cc4nc(cc5c(CCC(=O)O)c(C)c(cc1n2)c(C)c5CCC(=O)O)N4)c(CC(=O)O)c3CCC(=O)O |
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| InChI Key | PTINYYXTKPWWAP-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 | hexacarboxylic acids and derivatives |
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| Direct Parent | hexacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundssecondary amines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhexacarboxylic acid or derivativesimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
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