| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:03 UTC |
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| Update Date | 2025-03-25 01:01:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3S |
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| Molecular Mass | 251.0616 |
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| SMILES | O=S(O)c1cccc2cccc(NCCO)c12 |
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| InChI Key | RDMVJFUMGGYHLG-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary alkylarylaminessulfinic acids |
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| Substituents | alcoholsulfinic acid derivativearomatic homopolycyclic compoundsecondary amineorganosulfur compoundsulfinic acidsecondary aliphatic/aromatic amineorganic oxidenaphthaleneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundalkanolamine |
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