| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:27 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H39N5O12 |
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| Molecular Mass | 661.2595 |
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| SMILES | NC(CCc1cc(CCC(N)C(=O)O)c(CC(N=CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
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| InChI Key | KJCWEOVILQARSM-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 heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acid or derivativesamino acidiminealpha-amino acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundamphetamine or derivativessecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary aminephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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