| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:02 UTC |
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| Update Date | 2025-03-25 01:00:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242494 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O5S |
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| Molecular Mass | 378.1249 |
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| SMILES | C=CC1CN2CCC1CC2C(O)c1c[nH]c2ccc(OS(=O)(=O)O)cc12 |
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| InChI Key | HRCWJDPAGJWAMF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspiperidinespyrrolesquinuclidinessecondary alcoholssulfuric acid monoesterstrialkylamines |
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| Substituents | aromatic alcoholsulfuric acid monoesterindolequinuclidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatepiperidinetertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic amineindole or derivativesorganic oxygen compoundpyrrolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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