| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:13 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213441 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H34N2O5S |
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| Molecular Mass | 522.2188 |
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| SMILES | CN(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | DISIUJQBSBZTCD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaminosulfonyl compoundsaromatic alcoholsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidespiperidinestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethaneorganosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidpiperidinetertiary amineorganoheterocyclic compoundbenzenesulfonyl groupalcoholbenzenesulfonamideazacycleaminosulfonyl compoundtertiary aliphatic aminebenzoic acid or derivativestertiary alcoholmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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