| 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 00:52:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H42N4O8 |
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| Molecular Mass | 622.3003 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3NC(=O)C(C)=C3CC)c(C(=O)O)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | IRVLNEUWNAELDG-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 | bilirubins |
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| Direct Parent | bilirubins |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmetallotetrapyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidspyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativestricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundmetallotetrapyrrole skeletonvinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinebilirubin skeletonpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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