| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:10 UTC |
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| Update Date | 2025-03-25 00:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222555 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O6 |
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| Molecular Mass | 250.0477 |
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| SMILES | O=C1OCC2C1C(=O)OC2c1ccc(O)c(O)c1 |
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| InChI Key | RSUNVOMOZZVMKO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | lignan lactones |
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| Subclass | lignan lactones |
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| Direct Parent | lignan lactones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acid estersdicarboxylic acids and derivativesfuran lignansfurofuran lignansfurofuransgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupfurofuran lignan skeleton1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelignan lactonelactoneorganic oxidearomatic heteropolycyclic compoundfurofuranorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclefuran lignan skeletonorganic oxygen compoundcarboxylic acid esterfuranoid lignandicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
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