| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:10 UTC |
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| Update Date | 2025-03-25 00:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235990 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24O13S |
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| Molecular Mass | 528.0938 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OC1OC(CS(=O)(=O)O)C(O)C(O)C1O |
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| InChI Key | GOGMNYSBHOWUPR-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 | flavonoid glycosides |
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| Direct Parent | flavonoid o-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-o-methylated flavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesorganosulfonic acidsoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfonylsvinylogous acids |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanoneflavanorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherorganosulfur compoundketonesaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundchromaneflavonoid-3p-o-glycosideoxaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneflavonoid o-glycosideoxacyclevinylogous acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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