| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:23 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238707 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O7S |
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| Molecular Mass | 350.046 |
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| SMILES | O=C(O)C1Cc2c(O)cc(S(=O)O)cc2OC1c1ccc(O)cc1 |
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| InChI Key | XWUQGSZOILZAAK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | hydroxyflavonoids |
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| Direct Parent | 5-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoidsalkyl aryl ethersbenzene and substituted derivativescarbonyl compoundscarboxylic acidsflavanshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssulfinic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compound4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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