| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:57 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038470 |
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| Frequency | 91.0 |
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| Structure | |
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| Chemical Formula | C23H22O9 |
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| Molecular Mass | 442.1264 |
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| SMILES | COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C(=O)C23)OCO4)cc(OC)c1OC |
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| InChI Key | MRTHXEAUROZOIM-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 | acetalsalkyl aryl ethersanisolesaryltetralin lignansbenzodioxolescarboxylic acid estersdelta valerolactoneshydrocarbon derivativesketonesmethoxybenzenesmonocarboxylic acids and derivativesnaphthalenesnaphthopyransorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyranssecondary alcoholstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietycarbonyl groupetherdelta valerolactone1-aryltetralin lignanalkyl aryl ethercarboxylic acid derivativelignan lactoneketonelactoneorganic oxideacetalaromatic heteropolycyclic compoundoxanedelta_valerolactoneorganoheterocyclic compoundbenzodioxolealcoholmethoxybenzeneoxacyclenaphthopyranmonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyrananisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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