rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide

Properties Image MNX_ID MNXM108471 reference chebi:68875 formula C20H28O2 global charge 0 mol weight 300.442 InChIKey GFSIRKGSRCAQRP-BSTDZIDZSA-N InChI InChI=1S/C20H28O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h6-9,13-14,17,19H,5,10-12H2,1-4H3/b9-8+,15-6+,16-7+/t17-,19-/m1/s1 SMILES CC1=C\C/C=C(\C)C[C@@H]2C=C(CC[C@H](C(C)C)/C=C/1)C(=O)O2 MNX internals InChI (mnx) InChI=1/C20H28O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h6-9,13-14,17,19H,5,10-12H2,1-4H3/b9-8+,15-6+,16-7+/t17-,19-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[C@@H:17]1/[CH:9]=[CH:8]/[C:15]([CH3:3])=[CH:6]/[CH2:5]/[CH:7]=[C:16](\[CH3:4])[CH2:12][C@@H:19]2[CH:13]=[C:18]([CH2:11][CH2:10]1)[C:20](=[O:21])[O:22]2

Parent-child relations graph

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