| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:59 UTC |
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| Update Date | 2025-03-25 00:55:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210473 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27NO8 |
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| Molecular Mass | 409.1737 |
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| SMILES | CC(=O)NC1C(O)CC(Oc2ccc(CC3CCC(=O)O3)cc2)OC1C(O)CO |
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| InChI Key | LLWNPFOLCQFAOE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativelactoneorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholtetrahydrofurancarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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