fukanemarin B

Properties Image MNX_ID MNXM105250 reference chebi:65920 formula C25H28O5 global charge 0 mol weight 408.494 InChIKey BPQMZQHENRZFOK-GXZANXLRSA-N InChI InChI=1S/C25H28O5/c1-15(11-20-12-16(2)14-29-20)7-6-8-17(3)18(4)23-24(26)21-10-9-19(28-5)13-22(21)30-25(23)27/h7-10,12-14,18,26H,6,11H2,1-5H3/b15-7+,17-8+ SMILES COC1=CC=C2C(=C1)OC(=O)C(C(C)/C(C)=C/C/C=C(\C)CC1=CC(C)=CO1)=C2O MNX internals InChI (mnx) InChI=1/C25H28O5/c1-15(11-20-12-16(2)14-29-20)7-6-8-17(3)18(4)23-24(26)21-10-9-19(28-5)13-22(21)30-25(23)27/h7-10,12-14,18,26H,6,11H2,1-5H3/b15-7+,17-8+/t18? SMILES (mnx) [CH3:1]/[C:15](=[CH:7]\[CH2:6]/[CH:8]=[C:17](\[CH3:3])[CH:18]([CH3:4])[C:23]1=[C:24]([OH:26])[C:21]2=[C:22]([CH:13]=[C:19]([O:28][CH3:5])[CH:9]=[CH:10]2)[O:30][C:25]1=[O:27])[CH2:11][C:20]1=[CH:12][C:16]([CH3:2])=[CH:14][O:29]1

Parent-child relations graph

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