| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:51 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O10S |
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| Molecular Mass | 424.0464 |
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| SMILES | COc1cc(C2Oc3cc(OS(=O)O)cc(O)c3C(=O)C2OC(C)=O)ccc1O |
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| InChI Key | UMMVCHVXJNUXET-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 benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersalpha-acyloxy ketonesanisolesaryl alkyl ketonescarboxylic acid esterschromonesflavanonolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraryl alkyl ketonealpha-acyloxy ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran5-hydroxyflavonoidflavanonol1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid ester4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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