(4betaH)-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6alpha-olide

Properties Image MNX_ID MNXM104819 reference chebi:65833 formula C20H22O5 global charge 0 mol weight 342.391 InChIKey QFLXCTZTPACOEB-MIQTUIGVSA-N InChI InChI=1S/C20H22O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6,10,14,17-18H,4-5,7-8H2,1-3H3/b9-6+/t10-,14+,17-,18-/m1/s1 SMILES C=C1C[C@H](OC(=O)/C(C)=C/C)[C@H]2C(=C)C(=O)O[C@@H]2C2=C1C(=O)C[C@H]2C MNX internals InChI (mnx) InChI=1/C20H22O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6,10,14,17-18H,4-5,7-8H2,1-3H3/b9-6+/t10-,14+,17-,18-/m1/s1 SMILES (mnx) [CH3:1]/[CH:6]=[C:9](\[CH3:2])[C:19](=[O:22])[O:24][C@H:14]1[CH2:8][C:11](=[CH2:4])[C:15]2=[C:16]([C@H:10]([CH3:3])[CH2:7][C:13]2=[O:21])[C@@H:18]2[C@@H:17]1[C:12](=[CH2:5])[C:20](=[O:23])[O:25]2

Parent-child relations graph

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