| 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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