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(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

PropertiesImage
MNX_IDMNXM1112888 Image of MNXM1112888
referencechebi:146907
formulaC36H62O31
global charge0
mol weight990.861
InChIKeyHLTVODPBAPHPST-YLWOMAAJSA-N
InChIInChI=1S/C36H62O31/c37-1-7-13(40)19(46)23(50)32(61-7)58-6-12-18(45)30(67-36-26(53)21(48)15(42)9(3-39)63-36)28(55)34(65-12)59-4-10-16(43)22(49)24(51)33(64-10)57-5-11-17(44)29(27(54)31(56)60-11)66-35-25(52)20(47)14(41)8(2-38)62-35/h7-56H,1-6H2/t7-,8-,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
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC[C@H]4OC(O)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H62O31/c37-1-7-13(40)19(46)23(50)32(61-7)58-6-12-18(45)30(67-36-26(53)21(48)15(42)9(3-39)63-36)28(55)34(65-12)59-4-10-16(43)22(49)24(51)33(64-10)57-5-11-17(44)29(27(54)31(56)60-11)66-35-25(52)20(47)14(41)8(2-38)62-35/h7-56H,1-6H2/t7-,8-,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 Image of MNXM1112888
SMILES (mnx)[CH2:1]([C@@H:7]1[C@@H:13]([OH:40])[C@H:19]([OH:46])[C@@H:23]([OH:50])[C@H:32]([O:58][CH2:6][C@@H:12]2[C@@H:18]([OH:45])[C@H:30]([O:67][C@H:36]3[C@H:26]([OH:53])[C@@H:21]([OH:48])[C@H:15]([OH:42])[C@@H:9]([CH2:3][OH:39])[O:63]3)[C@@H:28]([OH:55])[C@H:34]([O:59][CH2:4][C@@H:10]3[C@@H:16]([OH:43])[C@H:22]([OH:49])[C@@H:24]([OH:51])[C@H:33]([O:57][CH2:5][C@@H:11]4[C@@H:17]([OH:44])[C@H:29]([O:66][C@H:35]5[C@H:25]([OH:52])[C@@H:20]([OH:47])[C@H:14]([OH:41])[C@@H:8]([CH2:2][OH:38])[O:62]5)[C@@H:27]([OH:54])[CH:31]([OH:56])[O:60]4)[O:64]3)[O:65]2)[O:61]1)[OH:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:146907
chebi:146907
HLTVODPBAPHPST-YLWOMAAJSA-N
(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Glc(b1-3)[Glc(b1-6)]Glc(b1-6)Glc(b1-6)[Glc(b1-3)]Glc
WURCS=2.0/2,6,5/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2-2-2-2/a3-b1_a6-c1_c6-d1_d3-e1_d6-f1
beta-D-gluco-hexopyranosyl-(1->3)-[beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-gluco-hexopyranosyl-(1->3)]-D-gluco-hexopyranose