| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:10 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7S |
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| Molecular Mass | 352.0617 |
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| SMILES | CS(=O)(=O)Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1 |
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| InChI Key | HHBHXLUDHXGZJH-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 | hydroxyflavonoids |
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| Direct Parent | 3-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersflavan-3-olshydrocarbon derivativesmethanesulfonatesorganic oxidesorganosulfonic acid estersoxacyclic compoundsphenoxy compoundssecondary alcoholssulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfonic acid esterorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidorganosulfonic acid estermethanesulfonateoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivatives7-hydroxyflavonoidsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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