| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:11 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220313 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13O4S+ |
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| Molecular Mass | 301.0529 |
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| SMILES | CSc1cc(-c2ccc(O)c(O)c2)[o+]c2cc(O)ccc12 |
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| InChI Key | IUVWUVLGUFAIII-UHFFFAOYSA-O |
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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 | 3'-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'-hydroxyflavonoids7-hydroxyflavonoidsalkylarylthioethersanthocyanidinsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganooxygen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moiety1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundaryl thioetheraromatic heteropolycyclic compoundanthocyanidinorganic cationorganoheterocyclic compoundbenzopyransulfenyl compoundheteroaromatic compound1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compoundthioether7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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