| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:54 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150916 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H16O3 |
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| Molecular Mass | 280.1099 |
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| SMILES | CC(=O)c1cc2oc(=O)c3cc(C)c(C)cc3c2cc1C |
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| InChI Key | VJKCDSFIQPAZDG-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-benzopyransacetophenonesaryl alkyl ketonesbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranaryl alkyl ketone1-benzopyranheteroaromatic compoundisocoumarincoumarinketonelactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranoneacetophenonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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