Heliocide H1

Properties Image MNX_ID MNXM18317 reference chebi:176025 formula C25H30O5 global charge 0 mol weight 410.51 InChIKey FMJIKKXSIVRJGO-UHFFFAOYSA-N InChI InChI=1S/C25H30O5/c1-12(2)7-8-15-14(5)9-10-25(6)20(15)22(28)18-16(11-26)21(27)23(29)17(13(3)4)19(18)24(25)30/h7,9,11,13,15,20,27,29H,8,10H2,1-6H3 SMILES CC(C)=CCC1C(C)=CCC2(C)C(=O)C3=C(C(=O)C12)C(C=O)=C(O)C(O)=C3C(C)C MNX internals InChI (mnx) InChI=1/C25H30O5/c1-12(2)7-8-15-14(5)9-10-25(6)20(15)22(28)18-16(11-26)21(27)23(29)17(13(3)4)19(18)24(25)30/h7,9,11,13,15,20,27,29H,8,10H2,1-6H3/t15?,20?,25? SMILES (mnx) [CH3:1][C:12]([CH3:2])=[CH:7][CH2:8][CH:15]1[C:14]([CH3:5])=[CH:9][CH2:10][C:25]2([CH3:6])[CH:20]1[C:22](=[O:28])[C:18]1=[C:16]([CH:11]=[O:26])[C:21]([OH:27])=[C:23]([OH:29])[C:17]([CH:13]([CH3:3])[CH3:4])=[C:19]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