| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:46 UTC |
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| Update Date | 2025-03-21 18:41:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135825 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C36H56O17 |
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| Molecular Mass | 760.3518 |
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| SMILES | CC(CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12C |
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| InChI Key | PGDAIWSJKSCHFR-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-hydroxysteroids7-hydroxysteroidsacetalsbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesditerpene glycosidesditerpenoidsglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl group12-hydroxysteroidcarboxylic acidglucuronic acid or derivativesabietane diterpenoido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic acidditerpene glycoside1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxysteroidterpene glycosidehydroxy acidcyclic alcohol7-hydroxysteroidoxacycleorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivativediterpenoidorganooxygen compound |
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