| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:35 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H52O12 |
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| Molecular Mass | 628.3459 |
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| SMILES | CC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)CC1CCC1(C)C3C(O)CC4(C)C(CCC4(O)C(O)CO)C3CC(O)C21 |
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| InChI Key | GULQHSJRPZFRDI-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 | hydroxysteroids |
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| Direct Parent | 17-hydroxysteroids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 11-hydroxysteroids21-hydroxysteroids6-hydroxysteroidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesditerpene glycosidesditerpenoidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespregnane steroidsprimary alcoholspyran carboxylic acidssecondary alcoholstertiary 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 oxideacetal21-hydroxysteroidoxaneprimary alcoholorganoheterocyclic compound17-hydroxysteroidalcoholpyran carboxylic acid or derivativesterpene glycosidehydroxy acidcyclic alcoholoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivative11-hydroxysteroid6-hydroxysteroidditerpenoidpregnane-skeletonorganooxygen compound |
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