7,9,12-Decaketide intermediate 5

Properties Image MNX_ID MNXM10407 reference chebi:81680 formula C21H25O10S* global charge 0 mol weight   InChIKey   InChI   SMILES [*]SC(=O)CC(=O)CC(=O)CC1(O)CC(O)CC(=O)C1C(=O)CC(=O)CC(=O)CC(=O)CC MNX internals InChI (mnx) InChI=1/C22H28O10S/c1-3-12(23)4-13(24)5-14(25)7-18(29)21-19(30)8-17(28)11-22(21,32)10-16(27)6-15(26)9-20(31)33-2/h17,21,28,32H,3-11H2,1-2H3/t17?,21?,22?/i2+1 SMILES (mnx) [CH3:1][CH2:3][C:12]([CH2:4][C:13]([CH2:5][C:14]([CH2:7][C:18]([CH:21]1[C:19](=[O:30])[CH2:8][CH:17]([OH:28])[CH2:11][C:22]1([CH2:10][C:16]([CH2:6][C:15]([CH2:9][C:20](=[O:31])[S:33][13CH3:2])=[O:26])=[O:27])[OH:32])=[O:29])=[O:25])=[O:24])=[O:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0