CDK 1018121544 24 25 0 0 0 0 0 0 0 0999 V2000 -3.2250 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -2.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8045 -3.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0957 -3.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 -3.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0887 -1.7674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5121 -4.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -3.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 -0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 -1.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9389 -3.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 1.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3636 1.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 12 1 0 0 0 0 1 2 1 0 0 0 0 6 13 1 6 0 0 0 1 4 1 0 0 0 0 5 14 1 1 0 0 0 2 3 1 0 0 0 0 10 15 1 1 0 0 0 3 6 1 0 0 0 0 9 16 2 0 0 0 0 5 4 1 0 0 0 0 15 17 1 0 0 0 0 5 10 1 0 0 0 0 17 18 1 0 0 0 0 6 7 1 0 0 0 0 18 19 2 0 0 0 0 7 8 1 0 0 0 0 19 20 1 0 0 0 0 8 9 1 0 0 0 0 18 21 1 0 0 0 0 9 10 1 0 0 0 0 2 22 1 0 0 0 0 5 6 1 0 0 0 0 20 23 1 0 0 0 0 3 11 1 0 0 0 0 20 24 2 0 0 0 0 M END > CHEBI:69967 > 3-hydroxylabda-8(20),13-dien-15-oic acid > A natural product found in Metasequoia glyptostroboides. > 2 > C20H32O3 > 320.46630 > 320.23514 > 0 > [H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(O)=O)[C@@]1(C)CCC(O)C2(C)C > InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,17?,20+/m0/s1 > LNWOKEZJIRLIDO-JDWPPCOPSA-N > 21226514 $$$$