| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:52 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185010 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13Cl2NO4 |
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| Molecular Mass | 317.0222 |
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| SMILES | OCC1OC(n2ccc3cc(Cl)c(Cl)cc32)C(O)C1O |
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| InChI Key | KIBUKFONVOMQNI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | indole ribonucleosides and ribonucleotides |
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| Subclass | indole ribonucleosides and ribonucleotides |
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| Direct Parent | indole ribonucleosides and ribonucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesn-alkylindolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | n-alkylindoleindoleorganochloridemonosaccharidesubstituted pyrrole1-ribofuranosylindoleorganohalogen compoundsaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundaryl chloridealcoholazacycletetrahydrofuranheteroaromatic compoundindole or derivativesaryl halideoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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