Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:48:50 UTC |
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Update Date | 2025-03-25 00:49:40 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02175807 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C27H45ClO9 |
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Molecular Mass | 548.2752 |
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SMILES | CC12CCC(OC3OC(CCl)C(O)C(O)C3O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO |
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InChI Key | QCQKXETYIWNVEC-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 | steroidal glycosides |
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Geometric Descriptor | aliphatic heteropolycyclic compounds |
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Alternative Parents | 11-hydroxysteroids17-hydroxysteroids21-hydroxysteroidsacetalsalkyl chloridescyclic alcohols and derivativeshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsoxanespregnane steroidsprimary alcoholssecondary alcoholstertiary alcohols |
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Substituents | 20-hydroxysteroidsteroidal glycosidealkyl chlorideorganochloridemonosaccharideorganohalogen compoundaliphatic heteropolycyclic compoundsaccharideacetal21-hydroxysteroidalkyl halideoxaneprimary alcoholorganoheterocyclic compound17-hydroxysteroidalcoholhydroxysteroidcyclic alcoholoxacycletertiary alcoholorganic oxygen compoundsecondary alcoholhydrocarbon derivative11-hydroxysteroidpregnane-skeletonorganooxygen compound |
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