| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:28 UTC |
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| Update Date | 2025-03-25 00:52:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195400 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H34O6 |
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| Molecular Mass | 454.2355 |
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| SMILES | CC1C(Oc2cccc(CC3COCC3Cc3cccc(O)c3)c2)OC(C(=O)O)C(C)C1C |
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| InChI Key | GAHBVMZBKNGHQT-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 | 9,9'-epoxylignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic aciddialkyl etherorganic oxideacetal9,9p-epoxylignanoxaneorganoheterocyclic compoundpyran carboxylic acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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