| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:28 UTC |
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| Update Date | 2025-03-21 18:28:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070465 |
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| Frequency | 42.7 |
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| Structure | |
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| Chemical Formula | C16H14O8S |
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| Molecular Mass | 366.0409 |
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| SMILES | COc1cc(C2Oc3cc(O)cc(S(=O)O)c3C(=O)C2O)ccc1O |
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| InChI Key | JHYHPCAEXHXLNX-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 | 3'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesflavanonolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidetheraryl alkyl ketone1-benzopyranflavanoneflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyranflavanonolmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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