| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:31 UTC |
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| Update Date | 2025-03-25 00:47:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H38O8 |
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| Molecular Mass | 466.2567 |
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| SMILES | CC12CCC(O)CC1=CCC1C2CCC2C(OC3OC(C(=O)O)C(O)C(O)C3O)CCC21C |
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| InChI Key | MXCGQNCYVOQARI-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 | 3-hydroxy delta-5-steroids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdelta-5-steroidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compounddelta-5-steroidalcoholpyran carboxylic acid or derivativeshydroxy acid3-hydroxy-delta-5-steroidcyclic alcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganooxygen compound |
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