| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:48 UTC |
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| Update Date | 2025-03-21 18:39:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124152 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C19H21NO4 |
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| Molecular Mass | 327.1471 |
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| SMILES | CC(C)NCC(O)COc1ccc2c(c1)oc(=O)c1ccccc12 |
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| InChI Key | NSMQCUZKSJJIKQ-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans2-benzopyransalkyl aryl ethersdialkylaminesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenol etherspyranones and derivativessecondary alcohols |
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| Substituents | phenol etherether1-benzopyranalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic aminebenzopyranheteroaromatic compoundsecondary amineisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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