| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:53 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189653 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H33Cl2FN2O5 |
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| Molecular Mass | 626.1751 |
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| SMILES | CC(C)c1c(C(O)=Nc2c(Cl)cccc2Cl)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | YOSCESDQKSKEOA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesaryl fluoridesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdichlorobenzenesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | aryl fluoridefatty acylcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidorganochloridefatty acidsubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acid1,3-dichlorobenzenepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidfluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundaryl chloridechlorobenzenealcoholhalogenated fatty acidazacycleorganofluorideheteroaromatic compoundorganic 1,3-dipolar compoundaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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