| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:32 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO6 |
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| Molecular Mass | 321.1212 |
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| SMILES | COc1ccc2[nH]cc(C(=O)C3(O)CC(O)C(O)C(C)O3)c2c1 |
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| InChI Key | QKVLASYDUFWATK-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 | 1,2-diolsalkyl aryl ethersanisolesaryl alkyl ketonesazacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyranspyrrolessecondary alcoholsvinylogous amides |
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| Substituents | phenol etheretheraryl alkyl ketoneindolemonosaccharidealkyl aryl etherketonesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxane1,2-diolalcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundoxacycleorganic oxygen compoundanisolepyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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