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CHEBI:189976 - Alliosterol 1-rhamnoside 16-galactoside

ChEBI IDCHEBI:189976
ChEBI NameAlliosterol 1-rhamnoside 16-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H66O13
Net Charge0
Average Mass742.944
Monoisotopic Mass742.45034
SMILESCC(C)CCC(O)C(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21C
InChIInChI=1S/C39H66O13/c1-17(2)7-10-25(42)18(3)29-26(50-37-35(48)33(46)31(44)27(16-40)51-37)15-24-22-9-8-20-13-21(41)14-28(39(20,6)23(22)11-12-38(24,29)5)52-36-34(47)32(45)30(43)19(4)49-36/h8,17-19,21-37,40-48H,7,9-16H2,1-6H3
InChIKeyUFOUZKFFEDCDRA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Alliosterol 1-rhamnoside 16-galactoside (CHEBI:189976) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[[3-hydroxy-17-(3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038345HMDB