| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:13 UTC |
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| Update Date | 2025-03-21 17:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020262 |
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| Frequency | 200.2 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | CC(O)C(=O)c1c[nH]c2ccccc12 |
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| InChI Key | NMKWQEPJWHWJLU-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 | acyloinsaryl alkyl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcoholsvinylogous amides |
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| Substituents | alcoholvinylogous amidearyl alkyl ketoneazacycleindoleheteroaromatic compoundketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundacyloinpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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