sacrotride A

Properties Image MNX_ID MNXM108663 reference chebi:69138 formula C25H50O7 global charge 0 mol weight 462.668 InChIKey PBKNPWUTVIEHAJ-PUZAKDQTSA-N InChI InChI=1S/C25H50O7/c1-3-4-5-11-14-19(2)15-12-9-7-6-8-10-13-16-31-17-20(26)18-32-25-23(29)21(27)22(28)24(25)30/h19-30H,3-18H2,1-2H3/t19?,20-,21+,22+,23-,24-/m0/s1 SMILES CCCCCCC(C)CCCCCCCCCOC[C@H](O)COC1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C25H50O7/c1-3-4-5-11-14-19(2)15-12-9-7-6-8-10-13-16-31-17-20(26)18-32-25-23(29)21(27)22(28)24(25)30/h19-30H,3-18H2,1-2H3/t19?,20-,21+,22+,23-,24-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:11][CH2:14][CH:19]([CH3:2])[CH2:15][CH2:12][CH2:9][CH2:7][CH2:6][CH2:8][CH2:10][CH2:13][CH2:16][O:31][CH2:17][C@@H:20]([CH2:18][O:32][CH:25]1[C@@H:23]([OH:29])[C@H:21]([OH:27])[C@@H:22]([OH:28])[C@@H:24]1[OH:30])[OH:26]

Parent-child relations graph

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