cis-corossolone

Properties Image MNX_ID MNXM123961 reference lipidmapsM:LMPK03000079 formula C35H62O6 global charge 0 mol weight 578.875 InChIKey RVFWPTBBKKTQCR-JMMDVVQWSA-N InChI InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3/t28-,31+,32-,33+,34-/m0/s1 SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCCC(=O)CCCCCCCC2=C[C@H](C)OC2=O)O1 MNX internals InChI (mnx) InChI=1/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3/t28-,31+,32-,33+,34-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:14][CH2:17][CH2:23][C@H:31]([C@H:33]1[CH2:25][CH2:26][C@@H:34]([C@H:32]([CH2:24][CH2:19][CH2:18][CH2:22][C:30]([CH2:21][CH2:16][CH2:13][CH2:11][CH2:12][CH2:15][CH2:20][C:29]2=[CH:27][C@H:28]([CH3:2])[O:40][C:35]2=[O:39])=[O:36])[OH:38])[O:41]1)[OH:37]

Parent-child relations graph

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