(E,E)-farnesyl-5,7-dihydroxy-4,6-dimethylphthalide

Properties Image MNX_ID MNXM148238 reference chebi:232430 formula C25H33O4 global charge -1 mol weight 397.535 InChIKey YRKOMSPAXUNNRG-CYIFYSEMSA-M InChI InChI=1S/C25H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-25(6)20-15-29-24(28)21(20)22(26)19(5)23(25)27/h9,11,13,26H,7-8,10,12,14-15H2,1-6H3/p-1/b17-11+,18-13+/t25-/m1/s1 SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(C)C(=O)C(C)=C([O-])C2=C1COC2=O MNX internals InChI (mnx) InChI=1/C25H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-25(6)20-15-29-24(28)21(20)22(26)19(5)23(25)27/h9,11,13,26H,7-8,10,12,14-15H2,1-6H3/b17-11+,18-13+/t25-/m1/s1 SMILES (mnx) [CH3:1][C:16]([CH3:2])=[CH:9][CH2:7][CH2:10]/[C:17]([CH3:3])=[CH:11]/[CH2:8][CH2:12]/[C:18]([CH3:4])=[CH:13]/[CH2:14][C@:25]1([CH3:6])[C:20]2=[C:21]([C:22]([OH:26])=[C:19]([CH3:5])[C:23]1=[O:27])[C:24](=[O:28])[O:29][CH2:15]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0