Dihydrokalafungin dihydroquinone form

Properties Image MNX_ID MNXM722966 reference chebi:81706 formula C16H16O6 global charge 0 mol weight 304.298 InChIKey GBBQTBKHHWHZSJ-SFYZADRCSA-N InChI InChI=1S/C16H16O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17,20-21H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1 SMILES C[C@H]1O[C@H](CC(=O)O)CC2=C(O)C3=CC=CC(O)=C3C(O)=C21 MNX internals InChI (mnx) InChI=1/C16H16O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17,20-21H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1 SMILES (mnx) [CH3:1][C@@H:7]1[C:13]2=[C:16]([OH:21])[C:14]3=[C:9]([CH:3]=[CH:2][CH:4]=[C:11]3[OH:17])[C:15]([OH:20])=[C:10]2[CH2:5][C@@H:8]([CH2:6][C:12](=[O:18])[OH:19])[O:22]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0