lehualide J

Properties Image MNX_ID MNXM106118 reference chebi:68010 formula C19H32O5S global charge 0 mol weight 372.527 InChIKey CNSMFTLWDBUIIS-UHFFFAOYSA-N InChI InChI=1S/C19H32O5S/c1-15-16(24-19(20)18(23-3)17(15)22-2)13-11-9-7-5-6-8-10-12-14-25(4)21/h5-14H2,1-4H3 SMILES COC1=C(OC)C(C)=C(CCCCCCCCCCS(C)=O)OC1=O MNX internals InChI (mnx) InChI=1/C19H32O5S/c1-15-16(24-19(20)18(23-3)17(15)22-2)13-11-9-7-5-6-8-10-12-14-25(4)21/h5-14H2,1-4H3/t25? SMILES (mnx) [CH3:1][C:15]1=[C:16]([CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][S:25]([CH3:4])=[O:21])[O:24][C:19](=[O:20])[C:18]([O:23][CH3:3])=[C:17]1[O:22][CH3:2]

Parent-child relations graph

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