Dihydrokalafungin

Properties Image MNX_ID MNXM3977 reference chebi:31491 formula C16H14O6 global charge 0 mol weight 302.282 InChIKey ZCJHPTKRISJQTN-SFYZADRCSA-N InChI InChI=1S/C16H14O6/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/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1 SMILES C[C@H]1O[C@H](CC(=O)O)CC2=C1C(=O)C1=C(C=CC=C1O)C2=O MNX internals InChI (mnx) InChI=1/C16H14O6/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/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m1/s1 SMILES (mnx) [CH3:1][C@@H:7]1[C:13]2=[C:10]([CH2:5][C@@H:8]([CH2:6][C:12](=[O:18])[OH:19])[O:22]1)[C:15](=[O:20])[C:9]1=[C:14]([C:11]([OH:17])=[CH:4][CH:2]=[CH:3]1)[C:16]2=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 0