| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:33 UTC |
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| Update Date | 2025-03-25 00:46:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22O8S |
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| Molecular Mass | 434.1035 |
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| SMILES | O=C1c2ccccc2SC(c2ccc(O)cc2)C1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | OULXTCQFGLAQKF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiochromanes |
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| Subclass | thioflavans |
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| Direct Parent | thioflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiopyrans1-hydroxy-2-unsubstituted benzenoidsacetalsalkylarylthioethersaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholsthiopyransvinylogous thioesters |
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| Substituents | monocyclic benzene moietyaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkylarylthioetheraryl thioether1-benzothiopyranketonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneprimary alcoholalcoholvinylogous thioesterbenzothiopyranthiopyranoxacyclethioflavanorganic oxygen compoundthioethersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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