C35-phenolphthiocerol A

Properties Image MNX_ID MNXM164643 reference metacycM:CPD-18578 formula C35H64O4 global charge 0 mol weight 548.893 InChIKey VWBMBYMZZRYHTK-XWISBFJWSA-N InChI InChI=1S/C35H64O4/c1-4-35(39-3)30(2)21-19-20-24-34(38)29-33(37)23-18-16-14-12-10-8-6-5-7-9-11-13-15-17-22-31-25-27-32(36)28-26-31/h25-28,30,33-38H,4-24,29H2,1-3H3/t30-,33+,34+,35+/m0/s1 SMILES CC[C@@H](OC)[C@@H](C)CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C35H64O4/c1-4-35(39-3)30(2)21-19-20-24-34(38)29-33(37)23-18-16-14-12-10-8-6-5-7-9-11-13-15-17-22-31-25-27-32(36)28-26-31/h25-28,30,33-38H,4-24,29H2,1-3H3/t30-,33+,34+,35+/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:35]([C@@H:30]([CH3:2])[CH2:21][CH2:19][CH2:20][CH2:24][C@H:34]([CH2:29][C@@H:33]([CH2:23][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][CH2:22][C:31]1=[CH:26][CH:28]=[C:32]([OH:36])[CH:27]=[CH:25]1)[OH:37])[OH:38])[O:39][CH3:3]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0