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CHEBI:200411 - Glucosylsucrose derivative 4

ChEBI IDCHEBI:200411
ChEBI NameGlucosylsucrose derivative 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H62O31
Net Charge0
Average Mass990.861
Monoisotopic Mass990.32751
SMILESOCC1OC(O[C@]2(CO)OC(CO)[C@H](O)[C@H]2O)C(O[C@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O[C@H]2OC(CO)[C@@H](O)C(O)C2O[C@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O[C@H]2OC(CO)[C@@H](O)C(O)C2O)C(O)C1O
WURCSWURCS=2.0/4,6,5/[axxxxh-1x_1-5][ha21xh-2u_2-5][a1x2xh-1d_1-5][axx2xh-1d_1-5]/1-2-3-4-3-4/a1-b2_a2-c1_c2-d1_d2-e1_e2-f1
InChIInChI=1S/C36H62O31/c37-1-8-14(44)20(50)25(55)31(57-8)62-26-21(51)15(45)9(2-38)58-32(26)63-27-22(52)16(46)10(3-39)59-33(27)64-28-23(53)17(47)11(4-40)60-34(28)65-29-24(54)18(48)12(5-41)61-35(29)67-36(7-43)30(56)19(49)13(6-42)66-36/h8-35,37-56H,1-7H2/t8?,9?,10?,11?,12?,13?,14-,15-,16-,17-,18?,19+,20?,21?,22?,23?,24?,25?,26+,27?,28+,29?,30-,31-,32-,33-,34-,35?,36+/m1/s1
InChIKeyVKWVLHGKQXORNI-JIUNEZRZSA-N
Species of MetaboliteComponentSourceComments
Nostoc ellipsosporum (ncbitaxon:45916) - PubMed (16367754)
ChEBI Ontology
Outgoing Relation(s)
Glucosylsucrose derivative 4 (CHEBI:200411) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2R,5S)-2-[(2R,3S,5S)-2-[(2R,5S)-2-[(2R,3S,5S)-2-[2-[(2S,3R,4R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-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
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