| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:24 UTC |
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| Update Date | 2025-03-25 00:49:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H34N2O6 |
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| Molecular Mass | 494.2417 |
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| SMILES | CCC1=C(C)C(Cc2[nH]c(CC3C(=O)OCC3Cc3cccc(O)c3)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | MAFXRQBKEGLVEZ-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolespyrrolinessecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycletetrahydrofuranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidcarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinecarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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