Heliocide H4

Properties Image MNX_ID MNXM18320 reference chebi:176027 formula C25H30O5 global charge 0 mol weight 410.51 InChIKey PHFQEHPMSYAMIH-UHFFFAOYSA-N InChI InChI=1S/C25H30O5/c1-12(2)7-9-16-14(5)8-10-17-22(28)19-15(11-26)21(27)23(29)18(13(3)4)20(19)24(30)25(16,17)6/h7-8,11,13,16-17,27,29H,9-10H2,1-6H3 SMILES CC(C)=CCC1C(C)=CCC2C(=O)C3=C(C(=O)C21C)C(C(C)C)=C(O)C(O)=C3C=O MNX internals InChI (mnx) InChI=1/C25H30O5/c1-12(2)7-9-16-14(5)8-10-17-22(28)19-15(11-26)21(27)23(29)18(13(3)4)20(19)24(30)25(16,17)6/h7-8,11,13,16-17,27,29H,9-10H2,1-6H3/t16?,17?,25? SMILES (mnx) [CH3:1][C:12]([CH3:2])=[CH:7][CH2:9][CH:16]1[C:14]([CH3:5])=[CH:8][CH2:10][CH:17]2[C:22](=[O:28])[C:19]3=[C:15]([CH:11]=[O:26])[C:21]([OH:27])=[C:23]([OH:29])[C:18]([CH:13]([CH3:3])[CH3:4])=[C:20]3[C:24](=[O:30])[C:25]12[CH3:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0