EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184864 - 1-(8-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one

ChEBI IDCHEBI:184864
ChEBI Name1-(8-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O19
Net Charge0
Average Mass732.685
Monoisotopic Mass732.24768
SMILESCOc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1
WURCSWURCS=2.0/2,3,2/[axxxxh-1x_1-5_1*O(CCCCCCC$4/5CCC$3/11)OC(/9)O(/8)CC/16=O(/7)C][axxxxh-1x_1-5]/1-2-2/a6-b1_b3-c1
InChIInChI=1S/C32H44O19/c1-10-4-12-5-13(45-3)6-14(19(12)23(39)18(10)11(2)35)47-31-26(42)25(41)21(37)17(50-31)9-46-30-28(44)29(22(38)16(8-34)48-30)51-32-27(43)24(40)20(36)15(7-33)49-32/h4-6,15-17,20-22,24-34,36-44H,7-9H2,1-3H3
InChIKeyXEDVENJDUYYBOD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
1-(8-{[6-({[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethan-1-one (CHEBI:184864) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
1-[8-[6-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl]ethanone