| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:20 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195111 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23NO5S |
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| Molecular Mass | 401.1297 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc2occ(-c3ccc(O)cc3)c(=O)c2c1 |
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| InChI Key | NIAZAGOPGFJKJA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | isoflavonoids |
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| Subclass | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsbenzene and substituted derivativeschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundspyranones and derivatives |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid amideorganic oxidechromonearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganoheterocyclic compoundisoflavonebenzopyranaminosulfonyl compoundheteroaromatic compoundoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyranphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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