CDK 1030232203 23 24 0 0 0 0 0 0 0 0999 V2000 2.1434 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 5 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 10 7 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 1 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 14 17 2 3 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 10 13 1 1 0 0 0 16 19 1 0 0 0 0 M END > CHEBI:225947 > Decatamariic acid > 2 > 2-[(4aR,8aR)-2-(4-hydroxy-2-methylbut-2-enyl)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]acetic acid > C20H32O3 > 320.473 > 320.23514 > 0 > O=C(O)CC1=C(CC[C@H]2[C@]1(CCCC2(C)C)C)CC(=CCO)C > InChI=1S/C20H32O3/c1-14(8-11-21)12-15-6-7-17-19(2,3)9-5-10-20(17,4)16(15)13-18(22)23/h8,17,21H,5-7,9-13H2,1-4H3,(H,22,23)/t17-,20+/m1/s1 > AUMLCVNLZJLOHA-XLIONFOSSA-N $$$$