Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:19 UTC |
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Update Date | 2025-03-21 18:35:04 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103775 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C34H58O8 |
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Molecular Mass | 594.4132 |
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SMILES | CC(C)CCCC(C)C1CCC2C1(C)CCC1C3(C)CCC(OC4OC(C(=O)O)C(O)C(O)C4O)CC3CC(O)C12C |
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InChI Key | VCPHJMQOGZMXRD-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 acidscholesterols and derivativescyclic alcohols and derivativesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssesterterpenoids |
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Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidsesterterpenoid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxysteroidhydroxy acidcyclic alcohol7-hydroxysteroidcholesteroloxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivativecholestane-skeletonorganooxygen compound |
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