Atrovirinone

Properties Image MNX_ID MNXM119499 reference chebi:191720 formula C25H28O8 global charge 0 mol weight 456.491 InChIKey AATISISCRVORPT-UHFFFAOYSA-N InChI InChI=1S/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3 SMILES COC(=O)C1=C(OC2=C(OC)C(=O)C(CC=C(C)C)=C(CC=C(C)C)C2=O)C=C(O)C=C1O MNX internals InChI (mnx) InChI=1/C25H28O8/c1-13(2)7-9-16-17(10-8-14(3)4)22(29)24(23(31-5)21(16)28)33-19-12-15(26)11-18(27)20(19)25(30)32-6/h7-8,11-12,26-27H,9-10H2,1-6H3 SMILES (mnx) [CH3:1][C:13]([CH3:2])=[CH:7][CH2:9][C:16]1=[C:17]([CH2:10][CH:8]=[C:14]([CH3:3])[CH3:4])[C:22](=[O:29])[C:24]([O:33][C:19]2=[CH:12][C:15]([OH:26])=[CH:11][C:18]([OH:27])=[C:20]2[C:25](=[O:30])[O:32][CH3:6])=[C:23]([O:31][CH3:5])[C:21]1=[O:28]

Parent-child relations graph

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