Ketcher 09041814452D 1 1.00000 0.00000 0 43 44 0 1 0 999 V2000 21.1781 -15.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3166 -15.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1781 -16.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0450 -15.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4440 -15.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8020 -14.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8033 -14.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3166 -17.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0507 -17.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9008 -15.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4440 -16.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3166 -18.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7679 -15.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6350 -15.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7736 -14.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5020 -15.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3691 -15.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2360 -15.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1030 -15.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2360 -14.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9646 -15.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8315 -15.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6985 -15.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5601 -15.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4271 -15.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5601 -16.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2941 -15.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1611 -15.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0282 -15.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8896 -15.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0282 -16.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7566 -15.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6237 -15.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4907 -15.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6237 -14.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3578 -15.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9829 -16.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9817 -16.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4907 -13.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7566 -13.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3578 -14.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6019 -17.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2117 -13.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 8 12 2 0 0 0 10 13 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 30 32 2 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 33 35 2 0 0 0 34 36 1 0 0 0 34 37 1 0 0 0 34 38 1 0 0 0 35 39 1 0 0 0 35 40 1 0 0 0 36 41 1 0 0 0 8 11 1 0 0 0 39 41 1 0 0 0 11 42 1 1 0 0 41 43 1 1 0 0 M END > CHEBI:80217 > adonixanthin > A carotenone that consists of β,β-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer). > 3 > doradexanthin; all-trans-beta-doradexanthin; all-trans-adonixanthin; adonixanthin; 4-Ketozeaxanthin; (3S,3'R)-dihydroxy-4-keto-beta,beta-carotene; (3S,3'R)-adonixanthin; (3S,3'R)-4-ketozeaxanthin > (3S,3'R)-3,3'-dihydroxy-beta,beta-caroten-4-one > C40H54O3 > 582.856 > 582.40730 > 0 > C=1(C(C[C@@H](C(C1C)=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@@H](CC2C)O)(C)C)\C)\C)/C)/C > InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1 > YECXHLPYMXGEBI-ZNQVSPAOSA-N > 4418-73-9 > 6494355 > 4418-73-9 > C15968 > C00000917 > LMPR01070016 > CPD-7852 > 15272869; 22669477; 23470446; 28689962; 29439525; 29502828; 30092231 $$$$