| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:01 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O11S |
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| Molecular Mass | 428.0413 |
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| SMILES | COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2OS(=O)(=O)O)cc(OC)c1O |
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| InChI Key | KZGXUUBTBMZXCT-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 | flavans |
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| Direct Parent | epigallocatechins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-o-methylated flavonoids3-sulfated flavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersalkyl sulfatesanisolesaryl alkyl ketoneschromonesdimethoxybenzenesflavanonolshydrocarbon derivativesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketonedimethoxybenzeneorganic oxidechromonearomatic heteropolycyclic compoundalkyl sulfatechromaneorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoid5-hydroxyflavonoidflavanonol1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacyclevinylogous acidorganic oxygen compoundm-dimethoxybenzeneanisole7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterepigallocatechinorganooxygen compoundaryl ketone |
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