C37-phenolphthiocerol A

Properties Image MNX_ID MNXM167363 reference metacycM:CPD-18658 formula C37H68O4 global charge 0 mol weight 576.947 InChIKey GDIGGEUWHKJEEK-OBSFXCBMSA-N InChI InChI=1S/C37H68O4/c1-4-37(41-3)32(2)23-21-22-26-36(40)31-35(39)25-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-33-27-29-34(38)30-28-33/h27-30,32,35-40H,4-26,31H2,1-3H3/t32-,35+,36+,37+/m0/s1 SMILES CC[C@@H](OC)[C@@H](C)CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCCCC1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C37H68O4/c1-4-37(41-3)32(2)23-21-22-26-36(40)31-35(39)25-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-33-27-29-34(38)30-28-33/h27-30,32,35-40H,4-26,31H2,1-3H3/t32-,35+,36+,37+/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:37]([C@@H:32]([CH3:2])[CH2:23][CH2:21][CH2:22][CH2:26][C@H:36]([CH2:31][C@@H:35]([CH2:25][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:24][C:33]1=[CH:28][CH:30]=[C:34]([OH:38])[CH:29]=[CH:27]1)[OH:39])[OH:40])[O:41][CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0