| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:59 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201257 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15ClO7S |
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| Molecular Mass | 386.0227 |
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| SMILES | COc1c(O)cc(C2Oc3cc(S(=O)O)cc(O)c3CC2O)cc1Cl |
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| InChI Key | ABJNDUKPRGLWDY-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 | o-methylated flavonoids |
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| Direct Parent | 4'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersanisolesaryl chlorideschlorobenzenesflavan-3-olshalophenolshydrocarbon derivativesm-chlorophenolsmethoxybenzenesmethoxyphenolsorganic oxidesorganochloridesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavanorganochloridesulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundorganohalogen compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundaryl chloridechlorobenzenealcohol3-halophenol3-chlorophenolbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidaryl halideoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compound |
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