12299845 CDK 1203211123 44 45 0 0 0 0 0 0 0 0999 V2000 2.0930 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9552 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 -3.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2407 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.8563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2407 -1.8563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9387 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1137 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8117 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5262 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0973 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9538 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2393 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5248 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 10 2 1 6 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 17 2 0 0 0 0 11 23 1 0 0 0 0 12 18 2 0 0 0 0 12 24 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 23 25 3 0 0 0 0 24 26 3 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 2 0 0 0 0 37 41 1 0 0 0 0 38 40 2 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 43 44 2 0 0 0 0 M END > CHEBI:186759 > 7,8,7',8'-Tetradehydroastaxanthin > 2 > (6S)-6-hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-2,4,4-trimethylcyclohex-2-en-1-one > C40H48O4 > 592.820 > 592.35526 > 0 > O[C@H]1CC(C(=C(C1=O)C)C#C\C(\C)=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C#CC=2C(C[C@H](O)C(=O)C2C)(C)C)/C)/C)\C)(C)C > InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-20,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1 > NNUVZGQKBVLNIO-JKISVVIKSA-N > LMPR01070052 $$$$