| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:32 UTC |
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| Update Date | 2025-03-25 00:48:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H46O10 |
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| Molecular Mass | 554.3091 |
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| SMILES | CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CC4(C)C3CCC12C |
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| InChI Key | JYPKPVGGZAAMDD-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 | androstane steroids |
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| Direct Parent | androstane 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 derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon 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 compoundalcoholpyran carboxylic acid or derivativeshydroxy acidcyclic alcoholoxacycleorganic oxygen compoundandrostane-skeletonpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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