| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:39 UTC |
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| Update Date | 2025-03-25 00:52:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H44O12 |
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| Molecular Mass | 560.2833 |
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| SMILES | CC12CCC(O)CC1CC(O)C1C2C(O)CC2(C)C1CCC2(OC1OC(C(=O)O)C(O)C(O)C1O)C(O)CO |
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| InChI Key | FJJGZGZAGYDREQ-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 | 11-hydroxysteroids21-hydroxysteroids3-hydroxysteroids7-hydroxysteroidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesgluco/mineralocorticoids, progestogins and derivativesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | 20-hydroxysteroidcarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetal21-hydroxysteroidoxaneprimary alcoholprogestogin-skeletonorganoheterocyclic compoundalcoholpyran carboxylic acid or derivatives3-hydroxysteroidhydroxysteroidhydroxy acidcyclic alcohol7-hydroxysteroidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsteroid-glucuronide-skeletonhydrocarbon derivative11-hydroxysteroidpregnane-skeletonorganooxygen compound |
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