Mol:Dihydrocapsaicin
From Metabolomics.JP
ACD/Labs12010713282D 22 22 0 0 0 0 0 0 0 0 1 V2000 23.3773 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3773 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2254 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2254 -7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0736 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0736 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9218 -7.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2254 -8.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5291 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6809 -5.4241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8327 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9846 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1364 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2882 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4400 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5918 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7436 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8954 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8327 -3.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0473 -4.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8954 -6.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0735 -9.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 6 7 1 0 0 0 0 4 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 11 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 8 22 1 0 0 0 0 S SKP 5 ID Dihydrocapsaicin FORMULA C18H29NO3 EXACTMASS 307.21474379899996 AVERAGEMASS 307.4278 SMILES CC(C)CCCCCCC(=O)NCc(c1)cc(OC)c(O)c1 M END
