| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:23 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O11S |
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| Molecular Mass | 412.01 |
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| SMILES | O=c1c(O)c(-c2ccc(OCOS(=O)(=O)O)c(O)c2)oc2cc(O)cc(O)c12 |
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| InChI Key | HSQVYKYYLFZART-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 | flavones |
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| Direct Parent | flavonols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl sulfateschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphenol ethersphenoxy compoundspyranones and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | 3-hydroxyflavonephenol ethermonocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganic oxidechromonearomatic heteropolycyclic compoundalkyl sulfatepyranoneorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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