Marvin 04071011552D 30 31 0 0 0 0 999 V2000 0.7145 0.8130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.4245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 2.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 3.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 3.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 4.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 4.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2871 4.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 3.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 4.5252 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5726 3.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 4.1128 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 4.9378 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5726 4.1129 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 4.9379 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7146 -1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 1 0 0 0 1 2 1 0 0 0 0 12 2 2 0 0 0 0 1 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 7 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 15 13 1 0 0 0 0 13 17 1 0 0 0 0 14 13 2 0 0 0 0 14 18 1 0 0 0 0 16 15 1 0 0 0 0 18 19 1 0 0 0 0 19 26 1 0 0 0 0 20 26 1 0 0 0 0 24 20 1 0 0 0 0 21 24 2 0 0 0 0 22 24 1 0 0 0 0 26 23 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 4 30 1 6 0 0 0 M CHG 3 22 -1 25 -1 27 -1 M END > CHEBI:58635 > 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate(3-) > Trianion of 5α,9α,10β-labda-8(20),13-dien-15-yl diphosphate. > 3 > (+)-copalyl diphosphate > 3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate; 1alpha,4aalpha,8abeta-labda-8(20),13-dien-15-yl diphosphate > C20H33O7P2 > 447.41930 > 447.17180 > -3 > [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O)[C@@]1(C)CCCC2(C)C > InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t17-,18-,20+/m0/s1 > JCAIWDXKLCEQEO-ATPOGHATSA-K $$$$