| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:40 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 | DMID02219091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O6 |
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| Molecular Mass | 344.126 |
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| SMILES | COc1ccc(C2COc3cc(OC)c(OC)cc3C2=O)cc1OC |
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| InChI Key | NXHHFALCUDNUMK-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 | isoflavonoids |
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| Subclass | o-methylated isoflavonoids |
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| Direct Parent | 3'-o-methylated isoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 4'-o-methylated isoflavonoids6-o-methylated isoflavonoids7-o-methylated isoflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesdimethoxybenzeneshydrocarbon derivativesisoflavanolsisoflavanonesorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranisoflavanolalkyl aryl etherisoflavanoneketonedimethoxybenzeneorganic oxidechromone3p-methoxyisoflavonoid-skeletonaromatic heteropolycyclic compoundo-dimethoxybenzenechromaneorganoheterocyclic compound4p-methoxyisoflavonoidisoflavanbenzopyranmethoxybenzeneoxacycle6-methoxyisoflavonoid-skeletonorganic oxygen compoundanisolehydrocarbon derivativebenzenoidphenoxy compound7-methoxyisoflavonoid-skeletonorganooxygen compoundaryl ketone |
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