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CHEBI:180635 - Fevicordin B 2-gentiobioside

ChEBI IDCHEBI:180635
ChEBI NameFevicordin B 2-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H64O18
Net Charge0
Average Mass868.967
Monoisotopic Mass868.40927
SMILESCC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C
InChIInChI=1S/C43H64O18/c1-18-20-9-10-26-40(5)14-22(46)36(43(8,56)27(47)11-12-39(3,4)61-19(2)45)41(40,6)15-28(48)42(26,7)21(20)13-23(29(18)49)58-38-35(55)33(53)31(51)25(60-38)17-57-37-34(54)32(52)30(50)24(16-44)59-37/h13,22,24-26,30-38,44,46,49-56H,9-12,14-17H2,1-8H3
InChIKeyVZFXZQQZJZPIGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
Fevicordin B 2-gentiobioside (CHEBI:180635) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[6-[3,16-dihydroxy-4,9,13,14-tetramethyl-11-oxo-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
Manual XrefsDatabases
HMDB0035296HMDB