| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:07 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23NO5 |
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| Molecular Mass | 369.1576 |
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| SMILES | CC(C)NCC(O)COc1ccc2occ(-c3ccc(O)cc3)c(=O)c2c1 |
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| InChI Key | UQIMDTRQXLZPMC-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 | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzene and substituted derivativeschromonesdialkylaminesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenol etherspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidechromonearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganoheterocyclic compoundisoflavonealcoholsecondary aliphatic aminebenzopyranheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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