| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:53 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 | DMID02196364 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C37H38N4O9 |
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| Molecular Mass | 682.2639 |
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| SMILES | CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C(C)=C4CCC(=O)C(=O)O)c(C)c3CCC(=O)O |
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| InChI Key | CTNNNYFXUBZNLG-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestetracarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtetracarboxylic acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundketo acidpyrroleorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundmetallotetrapyrrole skeletonorganooxygen compound |
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