Mol:LBG00cck:YS2CA0001:YS2CA0001:18109SC01
31 30 0 0 0 0 0 0 0 0999 V2000 3.2997 -2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 -2.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 -3.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -4.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -4.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -4.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -4.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 -5.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -5.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 -5.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -1.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 1.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 2.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 2.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 3.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 3.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 4.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 4.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1247 4.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1247 5.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 5.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 1 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 1 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 3 4 5 6 M SBL 1 1 2 M SMT 1 OCOCH3 M SBV 1 2 -0.4550 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 5 7 8 9 10 11 M SBL 2 1 6 M SMT 2 CH2OCOCH3 M SBV 2 6 0.0000 1.4649 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 15 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 M SAL 3 5 27 28 29 30 31 M SBL 3 1 11 M SMT 3 CH2O(CH2)8CH=CH(CH2)7CH3 M SBV 3 11 0.0000 -1.3485 S SKP 5 ID LBG00cck:YS2CA0001:YS2CA0001:18109SC01:01 FORMULA C26H48O5 EXACTMASS 440.35017464599997 AVERAGEMASS 440.65632 SMILES CCCCCCCCC=CCCCCCCCCOCC(C)(COC(C)=O)OC(C)=O M END
