Ketcher 04231817372D 1 1.00000 0.00000 0 66 65 0 1 0 999 V2000 13.1984 -10.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1984 -9.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0644 -9.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9304 -9.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3324 -9.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3323 -11.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 -10.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 -11.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7964 -11.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 -12.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 -12.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6622 -13.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5283 -14.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5282 -15.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3942 -15.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3942 -16.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2602 -17.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1262 -16.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1263 -15.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2603 -15.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2603 -14.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3943 -13.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3943 -12.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 -12.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 -11.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3325 -8.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1986 -7.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 -7.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 -6.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6009 -6.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6010 -5.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7351 -4.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7353 -3.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8693 -3.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8695 -2.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 -1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1375 -2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 -3.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0032 -3.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0030 -4.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 -5.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8688 -6.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7347 -6.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7346 -7.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4663 -10.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4663 -9.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6003 -11.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7343 -10.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -11.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0023 -10.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1362 -11.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 -10.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 -11.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -10.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -11.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -12.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -12.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 -12.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -12.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1361 -12.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 -12.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -12.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7342 -12.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9923 -15.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 -3.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -13.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 2 5 1 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 5 26 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 6 45 1 0 0 0 45 46 2 0 0 0 45 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 2 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 19 64 1 1 0 0 38 65 1 1 0 0 57 66 1 1 0 0 M END > CHEBI:140471 > triricinolein > A triglyceride formed by acylation of the three hydroxy groups of glycerol with ricinoleic acid, ((9Z,12R)-12-hydroxydec-9-enoic acid). It is the main constituent of castor oil. > 3 > glyceryl triricinoleate; 1,2,3-tri-(12R-hydroxy-9Z-octadecenoyl)-glycerol > propane-1,2,3-triyl (9Z,12R,9'Z,12'R,9''Z,12''R)tris(12-hydroxyoctadec-9-enoate) > C57H104O9 > 933.432 > 932.76803 > 0 > C(C(COC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O)OC(=O)CCCCCCC/C=C\C[C@@H](CCCCCC)O > InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-/t51-,52-,53-/m1/s1 > ZEMPKEQAKRGZGQ-VBJOUPRGSA-N > 2540-54-7 > 8608362 > 2540-54-7 > Ricinolein > IND44788222; IND44788223 > 11800053; 14733366; 18643899; 5867691 $$$$