C34-phenolphthiodiolone A

Properties Image MNX_ID MNXM164639 reference metacycM:CPD-18655 formula C34H60O4 global charge 0 mol weight 532.85 InChIKey HBMQNWQEQXLTRY-PHCUSUGSSA-N InChI InChI=1S/C34H60O4/c1-3-34(38)29(2)20-18-19-23-33(37)28-32(36)22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-21-30-24-26-31(35)27-25-30/h24-27,29,32-33,35-37H,3-23,28H2,1-2H3/t29-,32+,33+/m0/s1 SMILES CCC(=O)[C@@H](C)CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C34H60O4/c1-3-34(38)29(2)20-18-19-23-33(37)28-32(36)22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-21-30-24-26-31(35)27-25-30/h24-27,29,32-33,35-37H,3-23,28H2,1-2H3/t29-,32+,33+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C:34]([C@@H:29]([CH3:2])[CH2:20][CH2:18][CH2:19][CH2:23][C@H:33]([CH2:28][C@@H:32]([CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:21][C:30]1=[CH:25][CH:27]=[C:31]([OH:35])[CH:26]=[CH:24]1)[OH:36])[OH:37])=[O:38]

Parent-child relations graph

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