| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:53 UTC |
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| Update Date | 2025-03-21 18:35:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105161 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C33H55NO12 |
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| Molecular Mass | 657.3724 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(OC5OC(C(O)CO)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C |
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| InChI Key | HQSMWNQNTAQKHJ-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 | steroids and steroid derivatives |
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| Subclass | steroidal glycosides |
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| Direct Parent | steroidal glycosides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 12-hydroxysteroids7-hydroxysteroidsacetalsacyl glycinesalpha amino acidsbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl group12-hydroxysteroidcarboxylic acidsteroidal glycosidefatty amidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic heteropolycyclic compoundsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxysteroidcyclic alcoholcarboxamide group7-hydroxysteroidn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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