| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:35 UTC |
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| Update Date | 2025-03-21 18:28:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073139 |
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| Frequency | 40.8 |
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| Structure | |
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| Chemical Formula | C17H16O6 |
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| Molecular Mass | 316.0947 |
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| SMILES | COc1cc(C2CC(=O)c3c(OC)cc(O)cc3O2)ccc1O |
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| InChI Key | WRSMUTJHTHWFDH-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 | 5-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids3'-o-methylated flavonoids4'-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compound5-methoxyflavonoid-skeletonchromaneorganoheterocyclic compoundbenzopyranmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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