| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:27:33 UTC |
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| Update Date | 2025-03-21 23:17:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00692390 |
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| Frequency | 2.2 |
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| Structure | |
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| Chemical Formula | C55H68N6O12 |
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| Molecular Mass | 1004.4895 |
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| SMILES | CC1=C2Cc3[nH]c(c(C)c3CCC(=O)O)Cc3[nH]c(c(C)c3CCC(=O)O)CNC(=C1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)C2 |
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| InChI Key | BFYQNWRZDNFOJB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | hexacarboxylic acids and derivatives |
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| Direct Parent | hexacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundsecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compoundamine |
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