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CHEBI:211969 - Acetylated alpha-Cyclosophorotridecaose

ChEBI IDCHEBI:211969
ChEBI NameAcetylated alpha-Cyclosophorotridecaose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC78H130O65
Net Charge0
Average Mass2107.833
Monoisotopic Mass2106.68670
SMILESOCC1OC2OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OC(CO)C(O)C3O)OC3C(OCC4OC(OC2C(O)C1O)C(O)C(O)C4O)OC(CO)C(O)C3O
WURCSWURCS=2.0/1,13,13/[axxxxh-1x_1-5]/1-1-1-1-1-1-1-1-1-1-1-1-1/a1-m6_a2-b1_b2-c1_c2-d1_d2-e1_e2-f1_f2-g1_g2-h1_h2-i1_i2-j1_j2-k1_k2-l1_l2-m1
InChIInChI=1S/C78H130O65/c79-1-14-27(91)41(105)54-67(119-14)118-13-26-39(103)40(104)53(117)66(131-26)132-55-42(106)28(92)15(2-80)120-68(55)134-57-44(108)30(94)17(4-82)122-70(57)136-59-46(110)32(96)19(6-84)124-72(59)138-61-48(112)34(98)21(8-86)126-74(61)140-63-50(114)36(100)23(10-88)128-76(63)142-65-52(116)38(102)25(12-90)130-78(65)143-64-51(115)37(101)24(11-89)129-77(64)141-62-49(113)35(99)22(9-87)127-75(62)139-60-47(111)33(97)20(7-85)125-73(60)137-58-45(109)31(95)18(5-83)123-71(58)135-56-43(107)29(93)16(3-81)121-69(56)133-54/h14-117H,1-13H2
InChIKeyLRNKYIRVFWDJMK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ralstonia (ncbitaxon:48736) - PubMed (18262507)
ChEBI Ontology
Outgoing Relation(s)
Acetylated alpha-Cyclosophorotridecaose (CHEBI:211969) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
6,13,20,27,34,41,48,55,62,69,76,83-dodecakis(hydroxymethyl)-2,7,9,14,16,21,23,28,30,35,37,42,44,49,51,56,58,63,65,70,72,77,79,84,86,92-hexacosaoxatetradecacyclo[86.3.1.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57.059,64.066,71.073,78.080,85]dononacontane-4,5,11,12,18,19,25,26,32,33,39,40,46,47,53,54,60,61,67,68,74,75,81,82,89,90,91-heptacosol
Manual XrefsDatabases
78444402ChemSpider