stellata-2,6,19-triene

Properties Image MNX_ID MNXM165160 reference chebi:138048 formula C25H40 global charge 0 mol weight 340.595 InChIKey JFQLHYSXZPELNV-LNYIGJDBSA-N InChI InChI=1S/C25H40/c1-18(2)21-13-17-25(6)22(21)14-16-24(5)15-12-20(4)9-7-8-19(3)10-11-23(24)25/h8,12,21-23H,1,7,9-11,13-17H2,2-6H3/b19-8+,20-12+/t21-,22-,23-,24+,25-/m1/s1 SMILES C=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@]1(C)C/C=C(\C)CC/C=C(\C)CC[C@H]12 MNX internals InChI (mnx) InChI=1/C25H40/c1-18(2)21-13-17-25(6)22(21)14-16-24(5)15-12-20(4)9-7-8-19(3)10-11-23(24)25/h8,12,21-23H,1,7,9-11,13-17H2,2-6H3/b19-8+,20-12+/t21-,22-,23-,24+,25-/m1/s1 SMILES (mnx) [CH2:1]=[C:18]([CH3:2])[C@H:21]1[CH2:13][CH2:17][C@:25]2([CH3:6])[C@@H:22]1[CH2:14][CH2:16][C@:24]1([CH3:5])[CH2:15]/[CH:12]=[C:20](\[CH3:4])[CH2:9][CH2:7]/[CH:8]=[C:19](\[CH3:3])[CH2:10][CH2:11][C@H:23]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0