| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:09 UTC |
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| Update Date | 2025-03-25 00:54:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O6 |
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| Molecular Mass | 338.1478 |
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| SMILES | OCC1OC(NCCc2c[nH]c3ccc(O)cc23)C(O)C(O)C1O |
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| InChI Key | KAAFCJBNLMEANO-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-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsdialkylamineshemiaminalsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | indole1-hydroxy-2-unsubstituted benzenoidmonosaccharidehemiaminalsaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholalcoholsecondary aliphatic amineazacycleheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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