Chinenoside VI

Properties Image MNX_ID MNXM120456 reference chebi:191427 formula C44H70O19 global charge 0 mol weight 903.025 InChIKey IYLGRZBRMFMEOH-UHFFFAOYSA-N InChI InChI=1S/C44H70O19/c1-17-14-58-44(12-27(17)60-41-38(55)34(51)32(49)28(13-45)61-41)18(2)30-26(63-44)11-22-20-10-24(46)23-9-19(5-7-42(23,3)21(20)6-8-43(22,30)4)59-40-37(54)35(52)33(50)29(62-40)16-57-39-36(53)31(48)25(47)15-56-39/h17-23,25-41,45,47-55H,5-16H2,1-4H3 SMILES CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MNX internals InChI (mnx) InChI=1/C44H70O19/c1-17-14-58-44(12-27(17)60-41-38(55)34(51)32(49)28(13-45)61-41)18(2)30-26(63-44)11-22-20-10-24(46)23-9-19(5-7-42(23,3)21(20)6-8-43(22,30)4)59-40-37(54)35(52)33(50)29(62-40)16-57-39-36(53)31(48)25(47)15-56-39/h17-23,25-41,45,47-55H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44? SMILES (mnx) [CH3:1][CH:17]1[CH2:14][O:58][C:44]2([CH2:12][CH:27]1[O:60][CH:41]1[CH:38]([OH:55])[CH:34]([OH:51])[CH:32]([OH:49])[CH:28]([CH2:13][OH:45])[O:61]1)[CH:18]([CH3:2])[CH:30]1[CH:26]([CH2:11][CH:22]3[CH:20]4[CH2:10][C:24](=[O:46])[CH:23]5[CH2:9][CH:19]([O:59][CH:40]6[CH:37]([OH:54])[CH:35]([OH:52])[CH:33]([OH:50])[CH:29]([CH2:16][O:57][CH:39]7[CH:36]([OH:53])[CH:31]([OH:48])[CH:25]([OH:47])[CH2:15][O:56]7)[O:62]6)[CH2:5][CH2:7][C:42]5([CH3:3])[CH:21]4[CH2:6][CH2:8][C:43]31[CH3:4])[O:63]2

Parent-child relations graph

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