methyl phomopsenonate

Properties Image MNX_ID MNXM168342 reference chebi:200408 formula C21H30O3 global charge 0 mol weight 330.468 InChIKey PYIWJULOBQCXEN-ZCTIPADRSA-N InChI InChI=1S/C21H30O3/c1-12-13-6-7-14(18(23)24-5)21(13)11-20(4)9-8-19(2,3)17(20)15(21)10-16(12)22/h14-15,17H,6-11H2,1-5H3/t14-,15+,17-,20-,21+/m1/s1 SMILES COC(=O)[C@H]1CCC2=C(C)C(=O)C[C@H]3[C@@H]4C(C)(C)CC[C@]4(C)C[C@]213 MNX internals InChI (mnx) InChI=1/C21H30O3/c1-12-13-6-7-14(18(23)24-5)21(13)11-20(4)9-8-19(2,3)17(20)15(21)10-16(12)22/h14-15,17H,6-11H2,1-5H3/t14-,15+,17-,20-,21+/m1/s1 SMILES (mnx) [CH3:1][C:12]1=[C:13]2[CH2:6][CH2:7][C@H:14]([C:18](=[O:23])[O:24][CH3:5])[C@:21]23[CH2:11][C@@:20]2([CH3:4])[CH2:9][CH2:8][C:19]([CH3:2])([CH3:3])[C@H:17]2[C@@H:15]3[CH2:10][C:16]1=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0