Castaneiolide

Properties Image MNX_ID MNXM120329 reference chebi:175360 formula C22H28O8 global charge 0 mol weight 420.458 InChIKey RKHYCZRKSYBVGA-UHFFFAOYSA-N InChI InChI=1S/C22H28O8/c1-3-5-7-8-12-10-13-16(21(27)29-18(13)24)17(23)22(28,9-6-4-2)11-14-15(12)20(26)30-19(14)25/h12,17,23,28H,3-11H2,1-2H3 SMILES CCCCCC1CC2=C(C(=O)OC2=O)C(O)C(O)(CCCC)CC2=C1C(=O)OC2=O MNX internals InChI (mnx) InChI=1/C22H28O8/c1-3-5-7-8-12-10-13-16(21(27)29-18(13)24)17(23)22(28,9-6-4-2)11-14-15(12)20(26)30-19(14)25/h12,17,23,28H,3-11H2,1-2H3/t12?,17?,22? SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH:12]1[CH2:10][C:13]2=[C:16]([CH:17]([OH:23])[C:22]([CH2:9][CH2:6][CH2:4][CH3:2])([OH:28])[CH2:11][C:14]3=[C:15]1[C:20](=[O:26])[O:30][C:19]3=[O:25])[C:21](=[O:27])[O:29][C:18]2=[O:24]

Parent-child relations graph

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