101883443 CDK 1019211303 42 43 0 0 0 0 0 0 0 0999 V2000 3.1894 -7.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -7.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 6.5216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3342 7.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 8.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7467 6.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 7.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 5.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -5.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 6.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -6.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -5.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -7.0909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9052 5.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -5.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -5.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -6.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -4.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 4.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -5.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -4.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 4.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 4.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -2.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0473 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0473 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 1 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 14 16 1 0 0 0 0 15 20 2 0 0 0 0 15 22 1 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 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 1 0 0 0 0 34 37 2 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 40 42 1 0 0 0 0 M END > CHEBI:181747 > 4-Ketozeinoxanthin > 2 > (6S)-6-hydroxy-2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one; (6S)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one > C40H54O2 > 566.870 > 566.41238 > 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=C\[C@@H]2C(CCC=C2C)(C)C)/C)/C)\C)(C)C > InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-26,35,37,41H,15,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t35-,37-/m0/s1 > NBZUTADSSFCRRV-HIUJFTPLSA-N $$$$