Mrv1652309122216502D 25 26 0 0 1 0 999 V2000 -1.4877 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 0.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -0.0190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8714 -0.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 -1.3535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6060 -2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 -2.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 -1.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3878 -0.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9025 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4733 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 -1.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 -1.6984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5585 -2.4227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2663 -2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 -3.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5933 -3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 -4.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 -5.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 -5.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 -5.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 1 0 0 0 3 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > NP0329951 > NP-MRD > CO[C@@H]1O[C@@H](OC)\C2=C\C\C=C(C)\CC[C@H]([C@H](C)CCC=C(C)C)[C@@H]12 > InChI=1S/C22H36O3/c1-15(2)9-7-11-17(4)18-14-13-16(3)10-8-12-19-20(18)22(24-6)25-21(19)23-5/h9-10,12,17-18,20-22H,7-8,11,13-14H2,1-6H3/b16-10+,19-12+/t17-,18-,20-,21-,22-/m1/s1 > ZETHHMPKDUSZQQ-FCSBVEGOSA-N > C22H36O3 > 348.527 > 348.266445019 > 3 > 61 > 41.63097222920072 > 1 > 0 > 0 > 0 > (1R,3R,3aR,4R)-1,3-dimethoxy-7-methyl-4-[(2R)-6-methylhept-5-en-2-yl]-1H,3H,3aH,4H,5H,6H,9H-cyclonona[c]furan > 5.694999363999999 > 0 > 2 > 0 > -3.898529356962601 > 27.69 > 105.98929999999999 > 6 > 0 > (1R,3R,3aR,4R)-1,3-dimethoxy-7-methyl-4-[(2R)-6-methylhept-5-en-2-yl]-1H,3H,3aH,4H,5H,6H,9H-cyclonona[c]furan > 1 > NP0329951 > (1r,3r,3ar,4r)-1,3-dimethoxy-7-methyl-4-[(2r)-6-methylhept-5-en-2-yl]-1h,3h,3ah,4h,5h,6h,9h-cyclonona[c]furan $$$$