Marvin 09170811202D 11 10 0 0 0 0 999 V2000 -2.8579 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.1875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.0125 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 9 2 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 10 11 1 0 0 0 0 M RGP 1 11 1 M STY 1 1 SUP M SAL 1 1 11 M SBL 1 1 10 M SMT 1 ACP M END > CHEBI:7725 > octanoyl-[acyl-carrier protein] > 3 > Octanoyl-[acyl-carrier protein]; Octanoyl-[acp] > C8H15OSR > 159.26900 > 159.08436 > 0 > CCCCCCCC(=O)S[*] > C05752 > LMFA07060010 $$$$