| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:59 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201261 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4S |
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| Molecular Mass | 252.0456 |
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| SMILES | COc1cc2cccc(S(=O)O)c2cc1OC |
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| InChI Key | NOQMZNHAHSUTKT-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 | alkyl aryl ethersanisoleshydrocarbon derivativesorganic oxidesorganosulfur compoundssulfinic acids |
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| Substituents | phenol etherethersulfinic acid derivativearomatic homopolycyclic compoundalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidenaphthaleneorganic oxygen compoundanisolehydrocarbon derivativeorganooxygen compound |
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