Ketcher 03311612222D 1 1.00000 0.00000 0 54 56 0 1 0 999 V2000 13.7587 -7.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8925 -6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6245 -6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1604 -6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0266 -7.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4906 -7.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2946 -7.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7587 -8.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 -6.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5577 -7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -6.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 -7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 -6.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9602 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8263 -5.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6921 -5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5582 -5.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 -5.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6866 -7.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8203 -6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9546 -7.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0886 -6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2226 -7.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3566 -6.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3566 -5.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8203 -5.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8924 -8.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0266 -8.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 -8.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2899 -8.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4239 -8.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5580 -8.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -8.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -9.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5577 -10.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4238 -9.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2895 -10.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1558 -9.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8209 -9.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8208 -8.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6867 -8.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5528 -8.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5529 -9.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6871 -10.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6872 -11.0100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8212 -11.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9552 -11.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9551 -10.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0892 -11.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8214 -12.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9555 -13.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0894 -12.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2235 -13.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9549 -8.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 1 0 0 1 2 1 0 0 0 1 3 1 0 0 0 4 5 1 0 0 0 5 2 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 10 9 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 9 7 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 15 16 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 2 0 0 0 20 26 2 0 0 0 28 27 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 29 28 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 35 36 1 0 0 0 27 8 1 0 0 0 24 6 1 0 0 0 39 40 2 0 0 0 39 44 1 0 0 0 39 48 1 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 47 48 1 0 0 0 49 47 2 0 0 0 46 47 1 0 0 0 46 50 1 0 0 0 49 52 1 0 0 0 50 51 2 0 0 0 51 52 1 0 0 0 52 53 2 0 0 0 41 19 1 0 0 0 40 54 1 0 0 0 M END > CHEBI:100462 > (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester > A diester obtained by formal condensation of the carboxy groups of glutaric acid with the hydroxy groups of (S)-1,2-di-O-dodecanylglycerol and 7-hydroxy-6-methylphenoxazin-3-one. > 3 > (2S)-2,3-bis(dodecyloxy)propyl 6-methyl-3-oxo-3H-phenoxazin-7-yl pentanedioate > C45H69NO8 > 752.033 > 751.50232 > 0 > [C@H](OCCCCCCCCCCCC)(COCCCCCCCCCCCC)COC(CCCC(OC=1C(=C2C(=CC1)N=C3C(O2)=CC(C=C3)=O)C)=O)=O > InChI=1S/C45H69NO8/c1-4-6-8-10-12-14-16-18-20-22-31-50-34-38(51-32-23-21-19-17-15-13-11-9-7-5-2)35-52-43(48)25-24-26-44(49)53-41-30-29-40-45(36(41)3)54-42-33-37(47)27-28-39(42)46-40/h27-30,33,38H,4-26,31-32,34-35H2,1-3H3/t38-/m0/s1 > JEGLJLCZRAWOBI-LHEWISCISA-N $$$$