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CHEBI:189991 - 26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate

ChEBI IDCHEBI:189991
ChEBI Name26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66O17
Net Charge0
Average Mass842.973
Monoisotopic Mass842.43000
SMILESCC(=O)OCC1OC(OC(=O)/C(C)=C(/C)CC(O)C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC23C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17-
InChIKeyCRRPFFTZRFACDM-ZCXUNETKSA-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)
26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate (CHEBI:189991) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[6-(acetyloxymethyl)-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (Z)-5-hydroxy-2,3-dimethyl-6-(1,3,11-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-2-enoate
Manual XrefsDatabases
HMDB0040406HMDB