aspergiltriene A

Properties Image MNX_ID MNXM1129866 reference chebi:189071 formula C25H40 global charge 0 mol weight 340.595 InChIKey XKIZMGBGGHNTGM-ACCKHRCUSA-N InChI InChI=1S/C25H40/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9,13,17,21,23-24H,7-8,10-12,14-16H2,1-6H3/b18-13+,20-9+/t21-,23-,24-,25-/m0/s1 SMILES CC1=C2CC/C(C)=C/C[C@@]3(C)CC[C@@H](C(C)C)[C@@H]3C/C=C(\C)[C@@H]2CC1 MNX internals InChI (mnx) InChI=1/C25H40/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9,13,17,21,23-24H,7-8,10-12,14-16H2,1-6H3/b18-13+,20-9+/t21-,23-,24-,25-/m0/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[C@@H:21]1[CH2:14][CH2:16][C@:25]2([CH3:6])[CH2:15]/[CH:13]=[C:18](\[CH3:3])[CH2:7][CH2:10][C:22]3=[C:19]([CH3:4])[CH2:8][CH2:11][C@H:23]3/[C:20]([CH3:5])=[CH:9]/[CH2:12][C@@H:24]12

Parent-child relations graph

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