Goshonoside F4

Properties Image MNX_ID MNXM126278 reference chebi:169901 formula C32H54O12 global charge 0 mol weight 630.772 InChIKey YQDMUEBOTCUADA-YVLHZVERSA-N InChI InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10- SMILES C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32? SMILES (mnx) [CH3:1]/[C:17]([CH2:6][CH2:8][CH:19]1[C:18](=[CH2:2])[CH2:7][CH2:9][CH:22]2[C:31]([CH3:3])([CH2:16][O:42][CH:30]3[CH:28]([OH:40])[CH:26]([OH:38])[CH:24]([OH:36])[CH:21]([CH2:15][OH:34])[O:44]3)[CH2:11][CH2:5][CH2:12][C:32]12[CH3:4])=[CH:10]/[CH2:13][O:41][CH:29]1[CH:27]([OH:39])[CH:25]([OH:37])[CH:23]([OH:35])[CH:20]([CH2:14][OH:33])[O:43]1

Parent-child relations graph

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