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CHEBI:169790 - Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside]

Default Structure
ChEBI IDCHEBI:169790
ChEBI NameChondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H78O16
Net Charge0
Average Mass899.125
Monoisotopic Mass898.52899
SMILESCCC(/C=C/C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)C
InChIInChI=1S/C47H78O16/c1-7-24(22(2)3)9-8-23(4)28-12-13-29-27-11-10-25-18-26(14-16-46(25,5)30(27)15-17-47(28,29)6)58-44-41(38(55)35(52)32(20-49)60-44)63-45-42(39(56)36(53)33(21-50)61-45)62-43-40(57)37(54)34(51)31(19-48)59-43/h8-9,11,22-26,28-45,48-57H,7,10,12-21H2,1-6H3/b9-8+
InChIKeyGKJMLOMZBLJNRX-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside] (CHEBI:169790) has parent hydride stigmastane (CHEBI:26773)
Chondrillasterol 3-[glucosyl-(1->2)-glucosyl-(1->2)-glucoside] (CHEBI:169790) is a steroid (CHEBI:35341)
IUPAC Name 
2-[2-[2-[[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0033887HMDB