| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:11 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24O5 |
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| Molecular Mass | 368.1624 |
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| SMILES | Cc1c(CCC(=O)O)cccc1CC1COC(=O)C1Cc1cccc(O)c1 |
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| InChI Key | AQQODEIJQWFSHT-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 | furanoid lignans |
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| Subclass | tetrahydrofuran lignans |
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| Direct Parent | dibenzylbutyrolactone lignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativeslignan lactonesorganic oxidesoxacyclic compoundsphenylpropanoic acidstetrahydrofuranstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-aciddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelignan lactonelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidtolueneorganooxygen compound |
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