| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:34 UTC |
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| Update Date | 2025-03-21 18:28:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070710 |
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| Frequency | 42.5 |
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| Structure | |
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| Chemical Formula | C14H10O3S |
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| Molecular Mass | 258.0351 |
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| SMILES | O=S(=O)(O)c1cccc2ccc3ccccc3c12 |
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| InChI Key | ZTOBJTUGVMEACR-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 | phenanthrenes and derivatives |
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| Subclass | phenanthrenes and derivatives |
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| Direct Parent | phenanthrenes and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-naphthalene sulfonic acids and derivatives1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | naphthalene sulfonic acid or derivativesphenanthreneorganosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compound1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxidesulfonylnaphthalenearylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivative |
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