| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:09 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220230 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O5 |
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| Molecular Mass | 274.0841 |
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| SMILES | COc1ccc2oc(=O)c3c(c2c1)OC(C)(C)CC3=O |
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| InChI Key | RDEHYFGBTBSLCN-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 | coumarino-gamma-pyrones |
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| Direct Parent | coumarino-gamma-pyrones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersangular pyranocoumarinsanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativesvinylogous esters |
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| Substituents | phenol etheretheraryl alkyl ketone1-benzopyranalkyl aryl ethercoumarino-gamma-pyroneangular pyranocoumarinketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundpyranocoumarinbenzopyranvinylogous esterheteroaromatic compoundoxacycleorganic oxygen compoundpyrananisolehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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