| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:28 UTC |
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| Update Date | 2025-03-21 18:05:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058525 |
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| Frequency | 53.9 |
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| Structure | |
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| Chemical Formula | C34H36N4O8 |
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| Molecular Mass | 628.2533 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2N=C(C=C3NC(=O)C(C)=C3CCC(=O)O)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | JAPPUUVVXPPWPH-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdipyrrinsheteroaromatic compoundshydrocarbon derivativesketimineslactamsmetallotetrapyrrolesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundiminetricarboxylic acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganonitrogen compoundorganopnictogen compoundmetallotetrapyrrole skeletonazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinebilirubin skeletonpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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