Mrv0541 02241216442D 61 69 0 0 0 0 999 V2000 5.3708 1.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1256 2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7924 2.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7059 3.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 3.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 -0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 -0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 -0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 2.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4034 2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 3.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2855 3.3140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3314 3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 2.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 2.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 1.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3182 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 -0.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 -0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 0.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 2.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 -3.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -2.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -3.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5405 -2.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2554 -3.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -0.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -0.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 -1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -1.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5405 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2554 -1.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 1.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6803 1.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4557 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0882 1.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 -0.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 -0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9662 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5987 0.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3741 -0.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1107 -1.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -3.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 43 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 45 1 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 39 40 1 0 0 0 0 39 47 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 49 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 60 1 0 0 0 0 58 59 1 0 0 0 0 M END > FDB002455 > foodb > CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CN1 > InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3 > MBWUSSKCCUMJHO-UHFFFAOYSA-N > C45H73NO15 > 868.0588 > 867.498020671 > 16 > 96.81263182887847 > 0 > 9 > 0 > 0 > 2-{[4-hydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 1.52 > 1.3911905436666674 > -3.64 > 1 > 9 > 1 > 12.373951471612841 > 11.88593874237386 > 9.53968073522942 > 238.47999999999993 > 216.09930000000003 > 7 > 0 > 1.98e-01 g/l > 2-{[4-hydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > FDB002455 > Solamargine $$$$