Mrv1652301212022263D 68 71 0 0 0 0 999 V2000 -3.1923 3.3913 -1.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5475 -1.2278 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1287 -2.1026 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 -2.6780 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 1.8081 -0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.8923 -0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 0.5108 -0.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 -0.7211 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 1.4624 -0.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 1.0895 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8945 1.7139 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 0.2577 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 0.2085 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9206 -0.4192 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7810 4.2526 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1270 3.2555 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2692 -1.0110 -1.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6650 -1.7449 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4761 1.5748 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 0.0593 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2599 -1.0915 -0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -1.2610 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4523 2.9003 -0.3690 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0876 1.9312 -0.5754 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.0869 -2.0027 -1.8239 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7044 -0.9343 0.2452 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.6074 2.6989 0.5894 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4249 1.4814 -0.0862 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.2286 -3.0812 -0.8250 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2882 -0.6080 1.6329 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.3588 1.6104 1.5886 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9305 0.1994 -0.6571 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.6488 -2.7711 0.5352 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4453 -1.2476 2.7325 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.9305 0.3396 0.9132 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9168 -0.7306 -1.2075 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.5354 -1.7828 0.5183 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0279 -0.7783 2.6178 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5884 -1.6096 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2661 -0.8467 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1553 0.6222 -0.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5264 -0.2559 -0.7658 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0169 -1.7216 -0.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6429 -1.0336 1.1390 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.2338 4.3177 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7850 4.1912 -0.5379 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7904 2.5099 -0.1451 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4995 1.5100 1.3215 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7723 -4.3308 -1.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3011 0.7411 1.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3520 2.0110 2.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9783 0.4288 -1.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6197 -2.5512 1.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4902 -2.6306 2.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.0140 -0.4785 0.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1274 -2.0680 -0.9917 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4868 -2.1559 1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8777 0.5804 2.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6896 -2.8953 -0.9221 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5440 0.3587 0.3958 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1965 -0.3301 -0.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6153 -1.0811 -1.2322 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5300 1.8885 -0.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4369 1.0401 -1.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9631 -1.2394 -1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5873 -1.8121 0.5271 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8060 -0.9614 -0.9316 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3615 -1.5916 1.1383 O 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 19 2 0 0 0 0 10 20 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 2 0 0 0 0 14 22 2 0 0 0 0 23 15 1 1 0 0 0 15 45 1 0 0 0 0 24 16 1 6 0 0 0 16 46 1 0 0 0 0 25 17 1 1 0 0 0 17 61 1 0 0 0 0 26 18 1 6 0 0 0 18 62 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 63 1 0 0 0 0 24 28 1 0 0 0 0 24 64 1 0 0 0 0 25 29 1 0 0 0 0 25 65 1 0 0 0 0 26 30 1 0 0 0 0 26 66 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 6 0 0 0 28 32 1 0 0 0 0 28 48 1 1 0 0 0 29 33 1 0 0 0 0 29 49 1 6 0 0 0 30 34 1 0 0 0 0 30 50 1 1 0 0 0 31 35 1 0 0 0 0 31 51 1 1 0 0 0 32 36 1 0 0 0 0 32 52 1 6 0 0 0 33 37 1 0 0 0 0 33 53 1 1 0 0 0 34 38 1 0 0 0 0 34 54 1 6 0 0 0 35 41 1 0 0 0 0 35 55 1 6 0 0 0 36 42 1 0 0 0 0 36 56 1 1 0 0 0 37 43 1 0 0 0 0 37 57 1 1 0 0 0 38 44 1 0 0 0 0 38 58 1 6 0 0 0 39 59 2 0 0 0 0 39 67 1 0 0 0 0 40 60 2 0 0 0 0 40 68 1 0 0 0 0 41 61 1 1 0 0 0 41 63 1 0 0 0 0 42 62 1 6 0 0 0 42 64 1 0 0 0 0 43 65 1 0 0 0 0 43 67 1 1 0 0 0 44 66 1 0 0 0 0 44 68 1 1 0 0 0 M END > CHEM018798 > chemdb > C\C(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1 > SEBIKDIMAPSUBY-RTJKDTQDSA-N > C44H64O24 > 976.972 > 976.378752941 > 22 > 132 > 100.06898038130447 > 0 > 14 > 0 > 0 > bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate > -0.02 > -3.210937580666667 > -3.24 > 1 > 4 > 0 > 12.088030392139236 > 11.668685014311508 > -3.678613072130494 > 391.20000000000005 > 233.48580000000015 > 20 > 0 > 5.67e-01 g/l > saffron > 0 > Crocin > 42553-65-1 > alpha-Crocin $$$$