| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:48 UTC |
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| Update Date | 2025-03-25 00:45:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150656 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H49N3O12 |
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| Molecular Mass | 703.3316 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CCC(C)OC3OC(C(=O)O)C(O)C(O)C3O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | SICLGUQMVKWHBD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl glycosidesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolespyrrolinessecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acyl glycoside of mono- or disaccharidecarbonyl grouplactamcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyranpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundalkyl glycoside |
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