Ginsenoyne A linoleate

Properties Image MNX_ID MNXM126079 reference chebi:171689 formula C35H52O3 global charge 0 mol weight 520.798 InChIKey BFPKTKVUPNVZLI-XUPYMNJSSA-N InChI InChI=1S/C35H52O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h5-6,12-13,15-16,32-34H,2-4,7-11,14,17-22,25,27,29-31H2,1H3/b13-12+,16-15+ SMILES C=CCCCCCC1OC1CC#CC#CC(C=C)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC MNX internals InChI (mnx) InChI=1/C35H52O3/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-22-27-31-35(36)37-32(6-3)28-24-23-26-30-34-33(38-34)29-25-21-10-8-5-2/h5-6,12-13,15-16,32-34H,2-4,7-11,14,17-22,25,27,29-31H2,1H3/b13-12+,16-15+/t32?,33?,34? SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11]/[CH:12]=[CH:13]/[CH2:14]/[CH:15]=[CH:16]/[CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:27][CH2:31][C:35](=[O:36])[O:37][CH:32]([CH:6]=[CH2:3])[C:28]#[C:24][C:23]#[C:26][CH2:30][CH:34]1[CH:33]([CH2:29][CH2:25][CH2:21][CH2:10][CH2:8][CH:5]=[CH2:2])[O:38]1

Parent-child relations graph

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