Heliocide H2

Properties Image MNX_ID MNXM18318 reference chebi:176028 formula C25H30O5 global charge 0 mol weight 410.51 InChIKey BSQZWSGAKJSBOZ-UHFFFAOYSA-N InChI InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-25(5)17(11-15)22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(25)30/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3 SMILES CC(C)=CCCC1=CCC2(C)C(=O)C3=C(C(=O)C2C1)C(C=O)=C(O)C(O)=C3C(C)C MNX internals InChI (mnx) InChI=1/C25H30O5/c1-13(2)7-6-8-15-9-10-25(5)17(11-15)22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(25)30/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3/t17?,25? SMILES (mnx) [CH3:1][C:13]([CH3:2])=[CH:7][CH2:6][CH2:8][C:15]1=[CH:9][CH2:10][C:25]2([CH3:5])[CH:17]([CH2:11]1)[C:22](=[O:28])[C:19]1=[C:16]([CH:12]=[O:26])[C:21]([OH:27])=[C:23]([OH:29])[C:18]([CH:14]([CH3:3])[CH3:4])=[C:20]1[C:24]2=[O:30]

Parent-child relations graph

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