| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:37 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H24O9 |
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| Molecular Mass | 444.142 |
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| SMILES | COc1cc(C2c3cc4c(cc3C(O)(CO)C3COC(=O)C23)OCO4)cc(OC)c1OC |
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| InChI Key | KZWQRTOWWJIGIX-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 | podophyllotoxins |
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| Direct Parent | podophyllotoxins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersanisolesaryltetralin lignansbenzodioxolescarbonyl compoundscarboxylic acid estersfuranonaphthodioxolesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstertiary alcoholstetrahydrofuranstetralins |
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| Substituents | linear furanonaphthodioxoletetralinphenol ethermonocyclic benzene moietycarbonyl groupetherpodophyllotoxin1-aryltetralin lignanalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideacetalaromatic heteropolycyclic compoundorganoheterocyclic compoundbenzodioxole1,2-diolalcoholnaphthofurantetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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