| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:06 UTC |
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| Update Date | 2025-03-25 00:59:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O5S |
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| Molecular Mass | 306.0562 |
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| SMILES | COc1cc2c(cc1O)-c1ccc(S(=O)(=O)O)cc1CC2 |
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| InChI Key | XAYPDBGDJCXVFX-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-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersanisolesarylsulfonic acids and derivativeshydrocarbon derivativesnaphthols and derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesphenanthreneether1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundalkyl aryl etherorganosulfur compoundorganic oxidesulfonylnaphthaleneorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivative2-naphtholorganooxygen compound |
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