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CHEBI:190822 - 25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]

ChEBI IDCHEBI:190822
ChEBI Name25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H62O18
Net Charge0
Average Mass866.951
Monoisotopic Mass866.39362
SMILESCC(=O)OC(C)(C)/C=C/C(O)C(C)(O)C1C(O)CC2(C)C3C=Cc4c(cc(O)c(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)c4C)C3(C)C(=O)CC12C
InChIInChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+
InChIKeySQETUVZNOCBWJQ-VAWYXSNFSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
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)
25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] (CHEBI:190822) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[(E)-6-[2,16-dihydroxy-4,9,13,14-tetramethyl-11-oxo-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-12,15,16,17-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl]-5,6-dihydroxy-2-methylhept-3-en-2-yl] acetate
Manual XrefsDatabases
HMDB0036339HMDB