| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:44 UTC |
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| Update Date | 2025-03-25 00:47:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164102 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C39H38N4O12 |
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| Molecular Mass | 754.2486 |
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| SMILES | CC1=C(CCC(=O)O)C2=Cc3c(CCC(=O)O)c(C)c(c(C)c3CCC(=O)O)C=C(C(=O)O)N=C3N=C3C=c3[nH]c(c(CC(=O)O)c3CCC(=O)O)=CC1=N2 |
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| InChI Key | ABXOCULZQZNLEX-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 | alpha amino acidsazacyclic compoundsazirinesbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminealpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazirine |
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