| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:06 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201514 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H31N5O10 |
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| Molecular Mass | 657.2071 |
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| SMILES | Cc1c2[nH]c(c1CCC(=O)O)C=C1N=C(C=c3[nH]c(c(CCC(=O)O)c3C)=CC3=NC3=NC(C(=O)O)=C2)C(CC(=O)O)=C1CCC(=O)O |
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| InChI Key | RHCYWNSIXLZEJH-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 | alpha amino acidsazacyclic compoundsazirinescarbonyl compoundscarboxylic acidsdipyrrinsheteroaromatic 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 compounddipyrrinorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundpentacarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazirine |
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