| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:11:08 UTC |
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| Update Date | 2025-03-24 21:04:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01660627 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C49H47N5O18 |
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| Molecular Mass | 993.2916 |
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| SMILES | Cc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc6nc(cc1c(CCC(=O)O)c2CC(=O)O)C(CC(=O)O)=C6CCC(=O)O)C(CC(=O)O)=C5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)N3 |
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| InChI Key | BCPNAPLFJUXKTF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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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 aminecarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
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