| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:28 UTC |
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| Update Date | 2025-03-21 17:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009585 |
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| Frequency | 501.2 |
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| Structure | |
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| Chemical Formula | C33H56O7 |
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| Molecular Mass | 564.4026 |
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| SMILES | CC(C)CCCC(C)C1CCC2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C |
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| InChI Key | VRTUTWPAAVNOLE-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscholesterols 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 derivativesterpene glycosidehydroxy acidcholesteroloxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivativecholestane-skeletonditerpenoidorganooxygen compound |
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