CHEBI:185981 - Kurilensoside F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kurilensoside F
ChEBI ID CHEBI:185981
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H58O11
Net Charge 0
Average Mass 630.816
Monoisotopic Mass 630.39791
InChI InChI=1S/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23?,24+,25-,26-,27+,28-,29-,30+,31+,32-,33+/m0/s1
InChIKey SFKLBZDYZMNXCK-OHVRGURYSA-N
SMILES O[C@]12[C@]3([C@@]([C@]([C@@H](O)[C@@H]3O)([C@@H](CCC[C@@H](CO)C)C)[H])(CC[C@@]1([C@@]4([C@@](O)(CC2)[C@@H](O)[C@@H](O[C@@H]5OC[C@@H](O)C(O)[C@@H]5OC)CC4)C)[H])C)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Kurilensoside F (CHEBI:185981) is a steroid (CHEBI:35341)
IUPAC Name
(3S,4S,5S,8S,9R,10R,13R,14S,15R,16R,17R)-3-[(2S,3S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4,5,8,15,16-pentol
Manual Xref Database
LMST05050015 LIPID MAPS
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