| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:41 UTC |
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| Update Date | 2025-03-21 18:33:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094841 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C18H18O6 |
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| Molecular Mass | 330.1103 |
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| SMILES | COc1cc(OC)c2c(c1)OC(c1ccc(O)c(OC)c1)CC2=O |
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| InChI Key | IGNZKNJYBDCCCL-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-o-methylated flavonoidsalkyl 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 compoundanisole4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoid7-methoxyflavonoid-skeletonphenoxy compoundorganooxygen compoundaryl ketone |
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