Alliospiroside D

Properties Image MNX_ID MNXM118926 reference chebi:169837 formula C39H62O14 global charge 0 mol weight 754.911 InChIKey WPICZBAEKPIRLJ-UHFFFAOYSA-N InChI InChI=1S/C39H62O14/c1-16-15-48-39(13-24(16)42)17(2)28-25(53-39)12-23-21-7-6-19-10-20(41)11-27(38(19,5)22(21)8-9-37(23,28)4)51-36-34(32(46)30(44)26(14-40)50-36)52-35-33(47)31(45)29(43)18(3)49-35/h6,16-18,20-36,40-47H,7-15H2,1-5H3 SMILES CC1COC2(CC1O)OC1CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2C MNX internals InChI (mnx) InChI=1/C39H62O14/c1-16-15-48-39(13-24(16)42)17(2)28-25(53-39)12-23-21-7-6-19-10-20(41)11-27(38(19,5)22(21)8-9-37(23,28)4)51-36-34(32(46)30(44)26(14-40)50-36)52-35-33(47)31(45)29(43)18(3)49-35/h6,16-18,20-36,40-47H,7-15H2,1-5H3/t16?,17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? SMILES (mnx) [CH3:1][CH:16]1[CH2:15][O:48][C:39]2([CH2:13][CH:24]1[OH:42])[CH:17]([CH3:2])[CH:28]1[CH:25]([CH2:12][CH:23]3[CH:21]4[CH2:7][CH:6]=[C:19]5[CH2:10][CH:20]([OH:41])[CH2:11][CH:27]([O:51][CH:36]6[CH:34]([O:52][CH:35]7[CH:33]([OH:47])[CH:31]([OH:45])[CH:29]([OH:43])[CH:18]([CH3:3])[O:49]7)[CH:32]([OH:46])[CH:30]([OH:44])[CH:26]([CH2:14][OH:40])[O:50]6)[C:38]5([CH3:5])[CH:22]4[CH2:8][CH2:9][C:37]31[CH3:4])[O:53]2

Parent-child relations graph

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