| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:50 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157640 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C41H40N4O16 |
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| Molecular Mass | 844.2439 |
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| SMILES | O=C(O)CCC1=C2C=c3nc(cc4[nH]c(cc5nc(c(CCC(=O)O)c3CC(=O)O)=CC1=C(CCC(=O)O)C(CC(=O)O)=C5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)N2 |
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| InChI Key | ROGGGCSNGKNFSQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundcarboxylic acid derivativesecondary aliphatic/aromatic amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganopnictogen compoundhydrocarbon derivativeimidolactamorganoheterocyclic compoundorganooxygen compound |
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