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CHEBI:180818 - 6,7-Didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]

ChEBI IDCHEBI:180818
ChEBI Name6,7-Didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60O17
Net Charge0
Average Mass824.914
Monoisotopic Mass824.38305
SMILESCc1c2c(cc(O)c1OC1OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C1O)C1(C)C(=O)CC3(C)C(C(C)(O)C(O)/C=C/C(C)(C)O)C(O)CC3(C)C1C=C2
InChIInChI=1S/C41H60O17/c1-17-18-8-9-24-38(4)13-21(44)34(41(7,54)25(45)10-11-37(2,3)53)39(38,5)14-26(46)40(24,6)19(18)12-20(43)33(17)58-36-32(52)30(50)28(48)23(57-36)16-55-35-31(51)29(49)27(47)22(15-42)56-35/h8-12,21-25,27-32,34-36,42-45,47-54H,13-16H2,1-7H3/b11-10+
InChIKeyASSSZPRIMUKILU-ZHACJKMWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
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)
6,7-Didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] (CHEBI:180818) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2,16-dihydroxy-4,9,13,14-tetramethyl-17-[(E)-2,3,6-trihydroxy-6-methylhept-4-en-2-yl]-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-11-one
Manual XrefsDatabases
HMDB0036337HMDB