| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:27 UTC |
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| Update Date | 2025-03-25 00:59:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236590 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O4S |
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| Molecular Mass | 318.0926 |
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| SMILES | COc1cc(C2COc3cc(O)cc(SC)c3C2)ccc1O |
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| InChI Key | KRIZIKRYUKOXGP-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'-o-methylated isoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkylarylthioethersanisoleshydrocarbon derivativesisoflavanolsmethoxybenzenesmethoxyphenolsoxacyclic compoundsphenoxy compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherthiophenol3p-methoxyisoflavonoid-skeletonaromatic heteropolycyclic compoundthiophenol etherchromaneorganoheterocyclic compoundisoflavanbenzopyransulfenyl compoundmethoxybenzeneoxacycleorganic oxygen compoundthioetheranisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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