C31-phthiotriol

Properties Image MNX_ID MNXM164629 reference metacycM:CPD-18613 formula C31H64O3 global charge 0 mol weight 484.85 InChIKey USCKBWYPQYRTMB-UHFFFAOYSA-N InChI InChI=1S/C31H64O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(32)27-30(33)26-23-22-24-28(3)31(34)5-2/h28-34H,4-27H2,1-3H3 SMILES CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(O)CC MNX internals InChI (mnx) InChI=1/C31H64O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(32)27-30(33)26-23-22-24-28(3)31(34)5-2/h28-34H,4-27H2,1-3H3/t28?,29?,30?,31? SMILES (mnx) [CH3:1][CH2:4][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:25][CH:29]([CH2:27][CH:30]([CH2:26][CH2:23][CH2:22][CH2:24][CH:28]([CH3:3])[CH:31]([CH2:5][CH3:2])[OH:34])[OH:33])[OH:32]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0