| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:11 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222619 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15NO6S |
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| Molecular Mass | 361.062 |
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| SMILES | O=S(O)c1cc(O)cc2c1CC(O)C(c1c[nH]c3ccc(O)cc13)O2 |
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| InChI Key | ITSCOHOVRJCPLC-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundspyrrolessecondary alcoholssulfinic acids |
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| Substituents | ether1-benzopyranindolesulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundindole or derivativesoxacycleorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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