| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:39 UTC |
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| Update Date | 2025-03-25 00:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219049 |
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| Frequency | 0.5 |
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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 | COc1ccc(C2CC(=O)c3c(cc(CO)c(C(=O)O)c3O)O2)cc1O |
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| InChI Key | CNRZWVMPCYBHFX-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersanisolesaromatic alcoholsaryl alkyl ketoneschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketoneorganic oxidechromonearomatic heteropolycyclic compoundchromane1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidhydroxybenzoic acidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisole4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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