| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:38 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097177 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C16H14O6 |
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| Molecular Mass | 302.079 |
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| SMILES | COc1cc(C2CC(=O)c3cc(O)c(O)cc3O2)ccc1O |
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| InChI Key | GXANZBXMROFFNP-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-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids6-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 compoundchromaneorganoheterocyclic compoundbenzopyran6-hydroxyflavonoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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