Ascochitine

Properties Image MNX_ID MNXM119391 reference chebi:172513 formula C15H16O5 global charge 0 mol weight 276.288 InChIKey DZBCEUTUWOWUDY-ZETCQYMHSA-N InChI InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1 SMILES CC[C@H](C)C1=C(C)C2=CC(=O)C(C(=O)O)=C(O)C2=CO1 MNX internals InChI (mnx) InChI=1/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:7]([CH3:2])[C:14]1=[C:8]([CH3:3])[C:9]2=[CH:5][C:11](=[O:16])[C:12]([C:15](=[O:18])[OH:19])=[C:13]([OH:17])[C:10]2=[CH:6][O:20]1

Parent-child relations graph

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