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XLXG xyloglucan oligosaccharide

PropertiesImage
MNX_IDMNXM9239 Image of MNXM9239
referencemetacycM:CPD-13377
formulaC45H76O38
global charge0
mol weight1225.065
InChIKeyKBCZEXDVBXUVGR-HAPMVKCTSA-N
InChIInChI=1S/C45H76O38/c46-1-12-20(54)22(56)30(64)41(76-12)83-37-19(53)11(50)5-71-45(37)74-8-16-36(81-42-31(65)23(57)21(55)14(77-42)6-72-39-28(62)17(51)9(48)3-69-39)26(60)33(67)44(79-16)82-35-15(7-73-40-29(63)18(52)10(49)4-70-40)78-43(32(66)25(35)59)80-34-13(2-47)75-38(68)27(61)24(34)58/h9-68H,1-8H2/t9-,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-,37-,38?,39-,40-,41+,42+,43+,44+,45-/m1/s1
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)O[C@@H]4CO[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](CO[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C45H76O38/c46-1-12-20(54)22(56)30(64)41(76-12)83-37-19(53)11(50)5-71-45(37)74-8-16-36(81-42-31(65)23(57)21(55)14(77-42)6-72-39-28(62)17(51)9(48)3-69-39)26(60)33(67)44(79-16)82-35-15(7-73-40-29(63)18(52)10(49)4-70-40)78-43(32(66)25(35)59)80-34-13(2-47)75-38(68)27(61)24(34)58/h9-68H,1-8H2/t9-,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-,37-,38?,39-,40-,41+,42+,43+,44+,45-/m1/s1 Image of MNXM9239
SMILES (mnx)[CH2:1]([C@@H:12]1[C@H:20]([OH:54])[C@H:22]([OH:56])[C@@H:30]([OH:64])[C@H:41]([O:83][C@@H:37]2[C@@H:19]([OH:53])[C@H:11]([OH:50])[CH2:5][O:71][C@@H:45]2[O:74][CH2:8][C@@H:16]2[C@@H:36]([O:81][C@H:42]3[C@H:31]([OH:65])[C@@H:23]([OH:57])[C@H:21]([OH:55])[C@@H:14]([CH2:6][O:72][C@@H:39]4[C@H:28]([OH:62])[C@@H:17]([OH:51])[C@H:9]([OH:48])[CH2:3][O:69]4)[O:77]3)[C@H:26]([OH:60])[C@@H:33]([OH:67])[C@H:44]([O:82][C@@H:35]3[C@@H:15]([CH2:7][O:73][C@@H:40]4[C@H:29]([OH:63])[C@@H:18]([OH:52])[C@H:10]([OH:49])[CH2:4][O:70]4)[O:78][C@@H:43]([O:80][C@@H:34]4[C@@H:13]([CH2:2][OH:47])[O:75][CH:38]([OH:68])[C@H:27]([OH:61])[C@H:24]4[OH:58])[C@H:32]([OH:66])[C@H:25]3[OH:59])[O:79]2)[O:76]1)[OH:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-13377
metacycM:CPD-13377
seed.compound:cpd23850
seedM:cpd23850
KBCZEXDVBXUVGR-HAPMVKCTSA-N
XLXG xyloglucan oligosaccharide

seedM:M_cpd23850
secondary/obsolete/fantasy identifier