C35-phenolcarboxyphthiodiolenone

Properties Image MNX_ID MNXM164641 reference metacycM:CPD-18670 formula C35H57O6 global charge -1 mol weight 573.835 InChIKey LELXAHHDNXXYGR-BHHMAVKCSA-M InChI InChI=1S/C35H58O6/c1-28(34(39)29(2)35(40)41)19-17-18-22-33(38)27-32(37)21-16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-30-23-25-31(36)26-24-30/h19,23-26,29,32-33,36-38H,3-18,20-22,27H2,1-2H3,(H,40,41)/p-1/b28-19+/t29?,32-,33-/m1/s1 SMILES C/C(=C\CCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1=CC=C(O)C=C1)C(=O)C(C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C35H58O6/c1-28(34(39)29(2)35(40)41)19-17-18-22-33(38)27-32(37)21-16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-30-23-25-31(36)26-24-30/h19,23-26,29,32-33,36-38H,3-18,20-22,27H2,1-2H3,(H,40,41)/b28-19+/t29?,32-,33-/m1/s1 SMILES (mnx) [CH3:1]/[C:28](=[CH:19]\[CH2:17][CH2:18][CH2:22][C@H:33]([CH2:27][C@@H:32]([CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:20][C:30]1=[CH:24][CH:26]=[C:31]([OH:36])[CH:25]=[CH:23]1)[OH:37])[OH:38])[C:34]([CH:29]([CH3:2])[C:35](=[O:40])[OH:41])=[O:39]

Parent-child relations graph

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