| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:23 UTC |
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| Update Date | 2025-03-25 00:48:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167926 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H52O8 |
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| Molecular Mass | 552.3662 |
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| SMILES | CC(C)CCCC1CCC2(C)C1CCC1C2C(O)CC2CC(OC3OC(C(=O)O)C(O)C(O)C3O)CCC21C |
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| InChI Key | XWNWRXMOKMKWIE-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 | 7-hydroxysteroidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesditerpene glycosidesditerpenoidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesabietane diterpenoido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidditerpene glycoside1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxysteroidterpene glycosidehydroxy acidcyclic alcohol7-hydroxysteroidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivativediterpenoidorganooxygen compound |
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