C31-phthiodiolone A

Properties Image MNX_ID MNXM164628 reference metacycM:CPD-18627 formula C31H62O3 global charge 0 mol weight 482.834 InChIKey OJXHOAIVMAMTDD-FRXPANAUSA-N InChI InChI=1S/C31H62O3/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/h28-30,32-33H,4-27H2,1-3H3/t28-,29+,30+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)C(=O)CC MNX internals InChI (mnx) InChI=1/C31H62O3/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/h28-30,32-33H,4-27H2,1-3H3/t28-,29+,30+/m0/s1 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][C@H:29]([CH2:27][C@@H:30]([CH2:26][CH2:23][CH2:22][CH2:24][C@H:28]([CH3:3])[C:31]([CH2:5][CH3:2])=[O: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