| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:11 UTC |
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| Update Date | 2025-03-25 00:46:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H38N2O10 |
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| Molecular Mass | 646.2526 |
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| SMILES | Cc1c(CCC(=O)O)c2cc3nc(cc4c(C)c(CCC(=O)O)c(cc1c(C)c2CCC(=O)O)c(CCC(=O)O)c4CCC(=O)O)N3 |
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| InChI Key | CPBUOOYEGOWSNR-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic 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 aminepentacarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
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