| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:17:20 UTC |
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| Update Date | 2025-03-24 19:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01099331 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C48H47N3O20 |
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| Molecular Mass | 985.2753 |
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| SMILES | O=C(O)CCC1=C(CCC(=O)O)c2cc3c(CCC(=O)O)c(CC(=O)O)c(cc4nc(cc5c(CCC(=O)O)c(CC(=O)O)c(cc1n2)c(CCC(=O)O)c5CC(=O)O)N4)c(CCC(=O)O)c3CC(=O)O |
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| InChI Key | XAJVBDPUBRRWIQ-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 compoundssecondary amines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary aminecarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
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