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CHEBI:197089 - Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside]

ChEBI IDCHEBI:197089
ChEBI NameFevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H74O22
Net Charge0
Average Mass1015.109
Monoisotopic Mass1014.46717
SMILESCC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(COC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C
InChIInChI=1S/C49H74O22/c1-19-22-10-11-28-46(6)15-24(52)41(49(9,64)29(53)12-13-45(4,5)71-21(3)51)47(46,7)16-30(54)48(28,8)23(22)14-25(31(19)55)67-44-38(62)35(59)33(57)27(69-44)18-65-42-39(63)36(60)40(26(17-50)68-42)70-43-37(61)34(58)32(56)20(2)66-43/h14,20,24,26-28,32-44,50,52,55-64H,10-13,15-18H2,1-9H3
InChIKeyMTLIDTCASADKNT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
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-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside] (CHEBI:197089) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[6-[2-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,16-dihydroxy-4,9,13,14-tetramethyl-11-oxo-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
Manual XrefsDatabases
HMDB0035498HMDB