| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:37 UTC |
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| Update Date | 2025-03-25 00:56:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216631 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H48N4O10S |
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| Molecular Mass | 716.3091 |
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| SMILES | CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CC(O)CCC(=O)OS(=O)(=O)O)c2C)NC1=O |
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| InChI Key | CXJNQDZHQQBKEC-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfuric acid monoesters |
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| Substituents | fatty acylsulfuric acid monoestercarbonyl grouplactamcarboxylic acidshort-chain hydroxy acidaromatic heteromonocyclic compoundheterocyclic fatty acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidmetallotetrapyrrole skeletonalcoholorganic sulfuric acid or derivativesazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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