Physagulin G

Properties Image MNX_ID MNXM129644 reference chebi:185275 formula C36H50O15 global charge 0 mol weight 722.781 InChIKey LBNOIKRBLYMNFW-UHFFFAOYSA-N InChI InChI=1S/C36H50O15/c1-15-18(14-47-31-27(43)26(42)25(41)22(13-37)50-31)11-21(49-30(15)44)16(2)36-29(51-36)28(48-17(3)38)35(46)20-12-24(40)34(45)9-6-7-23(39)33(34,5)19(20)8-10-32(35,36)4/h6-7,16,19-22,24-29,31,37,40-43,45-46H,8-14H2,1-5H3 SMILES CC(=O)OC1C2OC2(C(C)C2CC(COC3OC(CO)C(O)C(O)C3O)=C(C)C(=O)O2)C2(C)CCC3C(CC(O)C4(O)CC=CC(=O)C34C)C12O MNX internals InChI (mnx) InChI=1/C36H50O15/c1-15-18(14-47-31-27(43)26(42)25(41)22(13-37)50-31)11-21(49-30(15)44)16(2)36-29(51-36)28(48-17(3)38)35(46)20-12-24(40)34(45)9-6-7-23(39)33(34,5)19(20)8-10-32(35,36)4/h6-7,16,19-22,24-29,31,37,40-43,45-46H,8-14H2,1-5H3/t16?,19?,20?,21?,22?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36? SMILES (mnx) [CH3:1][C:15]1=[C:18]([CH2:14][O:47][CH:31]2[CH:27]([OH:43])[CH:26]([OH:42])[CH:25]([OH:41])[CH:22]([CH2:13][OH:37])[O:50]2)[CH2:11][CH:21]([CH:16]([CH3:2])[C:36]23[CH:29]([CH:28]([O:48][C:17]([CH3:3])=[O:38])[C:35]4([OH:46])[CH:20]5[CH2:12][CH:24]([OH:40])[C:34]6([OH:45])[CH2:9][CH:6]=[CH:7][C:23](=[O:39])[C:33]6([CH3:5])[CH:19]5[CH2:8][CH2:10][C:32]42[CH3:4])[O:51]3)[O:49][C:30]1=[O:44]

Parent-child relations graph

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