(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)

Properties Image MNX_ID MNXM1107430 reference chebi:80189 formula C48H70O6 global charge 0 mol weight 743.082 InChIKey BLYISYDKTSMYSK-GKZFAFHHSA-N InChI InChI=1S/C48H70O6/c1-34(20-14-15-21-35(2)23-17-26-37(4)29-31-41-39(6)28-19-33-47(41,8)9)22-16-24-36(3)25-18-27-38(5)30-32-42(48(10,11)50)54-46-45(52-13)43(49)44(51-12)40(7)53-46/h14-18,20-27,29-32,40,42-46,49-50H,19,28,33H2,1-13H3/b15-14+,22-16+,23-17+,25-18+,31-29+,32-30+,34-20+,35-21+,36-24+,37-26+,38-27+/t40-,42-,43+,44+,45-,46-/m0/s1 SMILES CO[C@@H]1[C@H](O[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)O)O[C@@H](C)[C@@H](OC)[C@H]1O MNX internals InChI (mnx) InChI=1/C48H70O6/c1-34(20-14-15-21-35(2)23-17-26-37(4)29-31-41-39(6)28-19-33-47(41,8)9)22-16-24-36(3)25-18-27-38(5)30-32-42(48(10,11)50)54-46-45(52-13)43(49)44(51-12)40(7)53-46/h14-18,20-27,29-32,40,42-46,49-50H,19,28,33H2,1-13H3/b15-14+,22-16+,23-17+,25-18+,31-29+,32-30+,34-20+,35-21+,36-24+,37-26+,38-27+/t40-,42-,43+,44+,45-,46-/m0/s1 SMILES (mnx) [CH3:1][C:34](=[CH:20]\[CH:14]=[CH:15]\[CH:21]=[C:35]([CH3:2])\[CH:23]=[CH:17]\[CH:26]=[C:37]([CH3:4])\[CH:29]=[CH:31]\[C:41]1=[C:39]([CH3:6])[CH2:28][CH2:19][CH2:33][C:47]1([CH3:8])[CH3:9])/[CH:22]=[CH:16]/[CH:24]=[C:36]([CH3:3])/[CH:25]=[CH:18]/[CH:27]=[C:38]([CH3:5])/[CH:30]=[CH:32]/[C@@H:42]([C:48]([CH3:10])([CH3:11])[OH:50])[O:54][C@H:46]1[C@@H:45]([O:52][CH3:13])[C@H:43]([OH:49])[C@H:44]([O:51][CH3:12])[C@H:40]([CH3:7])[O:53]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1