Mrv1652309122212522D 23 24 0 0 1 0 999 V2000 2.9559 -4.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -4.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -4.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -3.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -3.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -0.9947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0572 -0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -2.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3594 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -1.8197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2414 -5.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -5.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 1 0 0 0 11 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 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 6 1 6 0 0 0 11 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > NP0327893 > NP-MRD > C\C1=C/CCC(=C)[C@H]2[C@H](CC1)\C(COC2=O)=C/C=C/C(=C)CO > InChI=1S/C20H26O3/c1-14-6-4-8-16(3)19-18(11-10-14)17(13-23-20(19)22)9-5-7-15(2)12-21/h5-7,9,18-19,21H,2-4,8,10-13H2,1H3/b7-5+,14-6+,17-9-/t18-,19+/m1/s1 > JZZQGERTUJIZDB-UTPQENEFSA-N > C20H26O3 > 314.425 > 314.188194697 > 2 > 49 > 35.00579119952725 > 1 > 1 > 0 > 1 > (4E,4aS,11aR)-4-[(2E)-5-hydroxy-4-methylidenepent-2-en-1-ylidene]-7-methyl-11-methylidene-1H,3H,4H,4aH,5H,6H,9H,10H,11H,11aH-cyclonona[c]pyran-1-one > 3.1163578749999994 > 0 > 2 > 0 > 16.65648113114007 > -2.074255153239333 > 46.53 > 95.8257 > 3 > 1 > (4E,4aS,11aR)-4-[(2E)-5-hydroxy-4-methylidenepent-2-en-1-ylidene]-7-methyl-11-methylidene-3H,4aH,5H,6H,9H,10H,11aH-cyclonona[c]pyran-1-one > 0 > NP0327893 > (4e,4as,11ar)-4-[(2e)-5-hydroxy-4-methylidenepent-2-en-1-ylidene]-7-methyl-11-methylidene-3h,4ah,5h,6h,9h,10h,11ah-cyclonona[c]pyran-1-one $$$$