| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:07 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149052 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C47H59N5O10 |
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| Molecular Mass | 853.4262 |
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| SMILES | CCc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(C)c1CCC(=O)O)CC1=C(CCC(=O)O)C(C)=C(Cc3[nH]c(c(C)c3CCC(=O)O)Cc3[nH]c(c(C)c3CCC(=O)O)CN1)C2 |
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| InChI Key | OJZJBNNSGDZHEQ-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic 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 aminepentacarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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