| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:13:27 UTC |
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| Update Date | 2025-03-25 01:21:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02369890 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C44H43N3O18 |
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| Molecular Mass | 901.2542 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3c(CC(=O)O)c(CCC(=O)O)c4cc([nH]c4c3CCC(=O)O)c(CC(=O)O)c(CCC(=O)O)cc3[nH]c(cc1n2)c(CCC(=O)O)c3CC(=O)O |
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| InChI Key | QAAAQNRNIJYIKD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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