| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:34 UTC |
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| Update Date | 2025-03-25 00:48:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H57NO11 |
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| Molecular Mass | 667.3932 |
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| SMILES | CC(CCC(=O)NCC(=O)O)CC(C)C1CCC2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C |
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| InChI Key | DIGCVIOIVSPDAR-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 | steroid glucuronide conjugates |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 12-hydroxysteroidsacetalsacyl glycinesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesditerpene glycosidesditerpenoidsglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl amineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | 12-hydroxysteroidcarboxylic acido-glucuronidemonosaccharidealpha-amino acid or derivativespyran carboxylic acidditerpene glycoside1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidn-acylglycinesecondary carboxylic acid amidedicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivativediterpenoidfatty acylcarbonyl groupglucuronic acid or derivativesabietane diterpenoidfatty amidecarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganopnictogen compoundpyran carboxylic acid or derivativeshydroxysteroidterpene glycosidehydroxy acidcyclic alcoholcarboxamide groupn-acyl-amineoxacycleorganic oxygen compoundpyransecondary alcoholorganic nitrogen compoundorganooxygen compound |
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