| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:54 UTC |
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| Update Date | 2025-03-25 00:52:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H35N3O6 |
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| Molecular Mass | 521.2526 |
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| SMILES | CC1=C(CCCCC(=O)O)C2=Cc3[nH]c(c(CCC(=O)O)c3C)Cc3[nH]c(c(CCC(=O)O)c3C)CC1=N2 |
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| InChI Key | KOIOHDJOCXCQHA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrroles |
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| Subclass | substituted pyrroles |
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| Direct Parent | dipyrrins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleimineheteroaromatic compoundtricarboxylic acid or derivativesorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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