pyrethrin I

Properties Image MNX_ID MNXM21405 reference chebi:27815 formula C21H28O3 global charge 0 mol weight 328.452 InChIKey ROVGZAWFACYCSP-VUMXUWRFSA-N InChI InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1 SMILES C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O MNX internals InChI (mnx) InChI=1/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1 SMILES (mnx) [CH2:1]=[CH:7]/[CH:8]=[CH:9]\[CH2:10][C:15]1=[C:14]([CH3:4])[C@@H:18]([O:24][C:20]([C@@H:19]2[C@@H:16]([CH:11]=[C:13]([CH3:2])[CH3:3])[C:21]2([CH3:5])[CH3:6])=[O:23])[CH2:12][C:17]1=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0