| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:19 UTC |
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| Update Date | 2025-03-25 00:46:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154243 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O10S |
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| Molecular Mass | 412.0464 |
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| SMILES | COc1cc(O)c2c(c1)OC(OS(=O)(=O)O)C(c1ccc(OC)c(O)c1)C2=O |
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| InChI Key | HLOBXSKMYCEULA-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 | isoflavonoids |
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| Subclass | o-methylated isoflavonoids |
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| Direct Parent | 3'-hydroxy,4'-methoxyisoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids7-o-methylated isoflavonoidsalkyl aryl ethersalkyl sulfatesanisolesaryl alkyl ketoneschromoneshydrocarbon derivativesisoflavanonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundalkyl sulfatechromaneorganoheterocyclic compoundisoflavanbenzopyranorganic sulfuric acid or derivatives3'-hydroxy,4'-methoxyisoflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester7-methoxyisoflavonoid-skeletonorganooxygen compoundaryl ketone |
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