| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:43 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O5 |
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| Molecular Mass | 300.0998 |
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| SMILES | COc1ccc(C2CC(=O)c3cc(O)cc(OC)c3O2)cc1 |
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| InChI Key | VILITDYFFFLHHF-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 | 8-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4'-o-methylated flavonoids6-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesflavanoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran6-hydroxyflavonoid8-methoxyflavonoid-skeletonmethoxybenzeneoxacycleorganic oxygen compoundanisole4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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