| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:48:41 UTC |
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| Update Date | 2025-03-25 01:11:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02312808 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C43H42N4O16 |
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| Molecular Mass | 870.2596 |
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| SMILES | CC1=C(CCC(=O)O)C2=NC1=CC=c1[nH]c(c(CC(=O)O)c1CCC(=O)O)=CC1=NC(=CC3=C(CC(=O)O)C(CC(=O)O)=C(CCC(=O)O)C(=C2)N3)C(CCC(=O)O)=C1CC(=O)O |
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| InChI Key | MWYIFZLFHZTOHL-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic 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 derivativeorganic nitrogen compoundorganooxygen compoundamine |
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