Ketcher 04111615572D 1 1.00000 0.00000 0 45 44 0 0 0 999 V2000 8.2144 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3485 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9464 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4824 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8124 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4202 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0439 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7759 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6419 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6419 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3740 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9720 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0805 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0805 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1060 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1060 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7040 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8379 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6784 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4361 -0.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.3021 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4105 0.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2765 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5445 -0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0445 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0445 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5701 0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0701 1.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0701 1.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7040 -1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 1 2 1 0 0 0 29 3 1 0 0 0 2 4 2 0 0 0 4 6 1 0 0 0 6 7 2 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 18 20 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 23 25 2 0 0 0 25 26 1 0 0 0 26 30 2 0 0 0 30 27 1 0 0 0 3 5 2 0 0 0 27 33 2 0 0 0 29 28 1 0 0 0 30 31 1 0 0 0 42 32 1 0 0 0 33 32 1 0 0 0 39 34 1 0 0 0 5 34 1 0 0 0 42 35 1 0 0 0 35 36 1 0 0 0 39 37 1 0 0 0 37 38 1 0 0 0 39 40 1 0 0 0 41 39 1 0 0 0 42 43 1 0 0 0 44 42 1 0 0 0 32 45 1 0 0 0 M END > CHEBI:91227 > 2-hydroxyspirilloxanthin > A carotenoid ether that is spirilloxanthin substituted at position 2 by a hydroxy group. > 3 > spirilloxanthin-2-ol; 2-hydroxyspirilloxanthin > (3E,3'E)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-caroten-2-ol > C42H60O3 > 612.926 > 612.45425 > 0 > C(=C(\C=C\CC(OC)(C)C)/C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)(C)C)O)\C)\C)\C)/C)/C > InChI=1S/C42H60O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32,40,43H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+ > AVHQKPCIRVFOIC-MRLRKSOKSA-N > CPD-16861 $$$$