| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:47 UTC |
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| Update Date | 2025-03-21 18:31:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085622 |
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| Frequency | 33.4 |
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| Structure | |
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| Chemical Formula | C18H16O8 |
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| Molecular Mass | 360.0845 |
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| SMILES | COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2OC(C)=O)ccc1O |
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| InChI Key | GOPRNCJZASYCJQ-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-hydroxyflavonoids7-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 compoundanisole7-hydroxyflavonoidcarboxylic acid ester4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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