Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:43:46 UTC |
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Update Date | 2025-03-25 00:47:48 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02164163 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C35H40N4O8 |
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Molecular Mass | 644.2846 |
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SMILES | CC1=C(CC(=O)O)C2=Cc3[nH]c(c(C)c3CCC(=O)O)Cc3[nH]c(c(CCC(=O)O)c3C)Cc3[nH]c(c(CCC(=O)O)c3C)CC1=N2 |
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InChI Key | WUHLIUMYGNWWKO-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 | tetrapyrroles and derivatives |
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Subclass | metallotetrapyrroles |
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Direct Parent | metallotetrapyrroles |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdipyrrinsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolestetracarboxylic acids and derivatives |
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Substituents | ketiminecarbonyl groupcarboxylic acidazacycleimineheteroaromatic compoundtetracarboxylic acid or derivativesorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundmetallotetrapyrrole skeletonorganooxygen compound |
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