7,12-Decaketide intermediate 1

Properties Image MNX_ID MNXM10394 reference chebi:81682 formula C20H19O9S* global charge 0 mol weight   InChIKey   InChI   SMILES [*]SC(=O)CC(=O)CC(=O)CC1=CC(O)=CC(O)=C1C(=O)CC(=O)CC(=O)CC(C)=O MNX internals InChI (mnx) InChI=1/C21H22O9S/c1-11(22)3-13(23)6-16(26)9-19(29)21-12(5-15(25)8-18(21)28)4-14(24)7-17(27)10-20(30)31-2/h5,8,25,28H,3-4,6-7,9-10H2,1-2H3/i2+1 SMILES (mnx) [CH3:1][C:11]([CH2:3][C:13]([CH2:6][C:16]([CH2:9][C:19]([C:21]1=[C:18]([OH:28])[CH:8]=[C:15]([OH:25])[CH:5]=[C:12]1[CH2:4][C:14]([CH2:7][C:17]([CH2:10][C:20](=[O:30])[S:31][13CH3:2])=[O:27])=[O:24])=[O:29])=[O:26])=[O:23])=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0