| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:27 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O9S |
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| Molecular Mass | 382.0359 |
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| SMILES | COc1ccc(C2C(=O)c3c(O)cc(OS(=O)O)cc3OC2O)cc1O |
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| InChI Key | RTZUVMAWDAQLTD-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 benzenoids2-hydroxyisoflavanonesalkyl aryl ethersanisolesaryl alkyl ketoneschromoneshemiacetalshydrocarbon derivativesisoflavanolsmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyether2-hydroxyisoflavanonearyl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanehemiacetalorganoheterocyclic compoundisoflavanbenzopyran3'-hydroxy,4'-methoxyisoflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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