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CHEBI:168003 - Starch acetate

ChEBI IDCHEBI:168003
ChEBI NameStarch acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O21
Net Charge0
Average Mass734.698
Monoisotopic Mass734.28446
SMILESCOC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OC(C)=O)C(O)C1O
WURCSWURCS=2.0/4,4,3/[hxxxxxm_2-6][axxxxh-1x_1-5][axxxxh-1x_1-5_2*OCC/3=O_4*OC][axxxxh-1x_1-5_4*OC]/1-2-3-4/a3-b1_b4-c1_b6-d1
InChIInChI=1S/C29H50O21/c1-9-15(34)16(35)24(13(7-32)44-9)49-28-20(39)18(37)25(50-29-26(45-10(2)33)21(40)23(42-4)12(6-31)47-29)14(48-28)8-43-27-19(38)17(36)22(41-3)11(5-30)46-27/h9,11-32,34-40H,5-8H2,1-4H3
InChIKeyMKRNVBXERAPZOP-UHFFFAOYSA-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)
Starch acetate (CHEBI:168003) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[2-[2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-6-[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] acetate
Manual XrefsDatabases
21242909ChemSpider