| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:36 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H20ClN3O3 |
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| Molecular Mass | 409.1193 |
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| SMILES | Clc1ccc(C2(Cn3ccnc3)OCC(COc3ccc4cc[nH]c4c3)O2)cc1 |
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| InChI Key | QCWVLXMIXANDPC-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersaryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol etherspyrroles |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolaneetherindoleorganochloridealkyl aryl etherorganohalogen compoundacetalaromatic heteropolycyclic compoundimidazoleketalorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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