| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:18 UTC |
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| Update Date | 2025-03-25 00:46:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H7F3O3 |
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| Molecular Mass | 280.0347 |
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| SMILES | O=c1oc2cc(OC(F)(F)F)ccc2c2ccccc12 |
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| InChI Key | PIFNEWMHGXJXMG-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 fluoridesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganofluoridesorganooxygen compoundsoxacyclic compoundsphenol etherspyranones and derivativestrihalomethanes |
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| Substituents | phenol ether1-benzopyranorganohalogen compoundlactoneorganic oxidearomatic heteropolycyclic compoundpyranonealkyl halideorganoheterocyclic compoundhalomethanebenzopyrantrihalomethanealkyl fluorideorganofluorideheteroaromatic compoundisocoumarincoumarinoxacycleorganic oxygen compoundpyran2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
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