| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:30 UTC |
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| Update Date | 2025-03-21 18:41:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135165 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C17H16O7 |
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| Molecular Mass | 332.0896 |
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| SMILES | COc1cc(C2Oc3cc(O)cc(O)c3CC2C(=O)O)ccc1O |
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| InChI Key | NNLKXJCVZQLZFK-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsflavanshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisole7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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