| 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 | DMID02168256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H50O9 |
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| Molecular Mass | 566.3455 |
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| SMILES | CC(CCC(=O)O)C1CCC2C1(C)CCC1C3(C)CCC(OC4OC(C(=O)O)C(O)C(O)C4O)CC3CCC12C |
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| InChI Key | PIRMOGRWUGDADJ-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 | acetalsbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssesterterpenoids |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic acidsesterterpenoid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivativeorganooxygen compound |
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