| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:59 UTC |
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| Update Date | 2025-03-21 17:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008436 |
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| Frequency | 581.3 |
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| Structure | |
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| Chemical Formula | C16H14O7S |
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| Molecular Mass | 350.046 |
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| SMILES | COc1ccc(C2CC(=O)c3c(cc(O)cc3S(=O)O)O2)cc1O |
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| InChI Key | XTYHEOQLQYKIRZ-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanoneflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacycleorganic oxygen compoundanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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