Mrv1652306242104253D 58 59 0 0 0 0 999 V2000 -2.5106 0.8558 -2.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 0.5084 -1.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3722 0.1082 -0.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8877 0.7288 0.3429 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6987 1.9332 0.0667 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2770 3.0200 0.8895 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1532 1.7999 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7792 0.6792 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9393 -0.5445 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1012 -1.8089 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2663 -2.3011 -0.3316 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -2.5917 0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7327 -3.8297 0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -1.6399 1.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6100 -0.3193 1.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0515 0.4774 -1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0802 0.8124 -1.7819 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 0.1031 0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.1156 0.7908 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3787 -0.8651 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -1.7295 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8258 -0.8127 0.7176 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5126 -1.6094 -0.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 0.6007 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 1.3820 1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 1.0992 -0.6357 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4276 1.3535 -0.4133 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0983 0.0742 -0.0888 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6034 0.2421 0.1414 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0990 -1.1550 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 1.1645 -3.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 0.8508 -2.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 1.0574 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5504 2.2842 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0918 3.5268 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7553 2.6977 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8511 0.5533 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1720 -2.1597 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4063 -1.9579 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 -1.5384 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6282 0.0131 2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 0.0635 1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9081 1.1498 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -2.4756 -1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -1.7004 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -1.1256 1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 -1.4066 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 2.0857 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8161 0.4285 -1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8924 1.8943 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 1.9903 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0021 -0.7051 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 -0.3425 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7768 0.9315 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0295 0.5831 -0.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 -1.4960 1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7548 -1.8308 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1879 -1.2227 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 2 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 3 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 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 29 30 1 0 0 0 0 15 4 1 0 0 0 0 15 9 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 4 33 1 1 0 0 0 5 34 1 6 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 11 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 1 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 1 0 0 0 23 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 M END > NP0017509 > NP-MRD > [H]OC1=C2C([H])=C([H])[C@@]([H])(O[H])[C@]([H])(OC(=C([H])[H])C(=O)OC([H])([H])C(=C([H])[H])[C@@]([H])(O[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]2([H])C([H])([H])C1=O > InChI=1S/C22H28O8/c1-4-5-6-7-16(23)19(26)12(2)11-29-22(28)13(3)30-21-15-10-18(25)20(27)14(15)8-9-17(21)24/h8-9,15,17,19,21,24,26-27H,2-7,10-11H2,1H3/t15-,17-,19-,21-/m1/s1 > QEUHGZGGGPRQOJ-BKXHWDAOSA-N > C22H28O8 > 420.458 > 420.178417862 > 7 > 58 > 43.75304652173464 > 1 > 3 > 0 > 1 > (3R)-3-hydroxy-2-methylidene-4-oxononyl 2-{[(6R,7R,7aR)-3,6-dihydroxy-2-oxo-2,6,7,7a-tetrahydro-1H-inden-7-yl]oxy}prop-2-enoate > 1.67 > 1.661468960333333 > -3.02 > 0 > 2 > 0 > 12.591285112011203 > 8.733472284649224 > -3.3364485798611865 > 130.35999999999999 > 110.4022 > 12 > 1 > 4.05e-01 g/l > (3R)-3-hydroxy-2-methylidene-4-oxononyl 2-{[(3aR,4R,5R)-1,5-dihydroxy-2-oxo-3,3a,4,5-tetrahydroinden-4-yl]oxy}prop-2-enoate > 0 > NP0017509 > Tundrenone $$$$