CDK 1018121544 25 27 0 0 0 0 0 0 0 0999 V2000 10.1625 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8745 -0.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8745 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 1.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5830 0.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2918 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0086 0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 1.6201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0082 1.1998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7230 1.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7345 2.4257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0251 2.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3041 2.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8754 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4430 -0.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1476 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5750 -0.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5792 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 0.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4542 2.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1634 2.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 3 1 0 0 0 0 3 15 1 0 0 0 0 5 9 1 0 0 0 0 3 16 1 1 0 0 0 6 7 1 0 0 0 0 16 17 1 0 0 0 0 7 8 1 0 0 0 0 16 18 2 0 0 0 0 8 10 1 0 0 0 0 6 19 1 6 0 0 0 9 10 1 0 0 0 0 5 20 1 1 0 0 0 3 6 1 0 0 0 0 9 21 1 6 0 0 0 5 4 1 0 0 0 0 10 22 1 1 0 0 0 5 6 1 0 0 0 0 12 23 1 0 0 0 0 23 24 2 0 0 0 0 1 2 1 0 0 0 0 12 25 1 1 0 0 0 M END > CHEBI:69974 > 8beta-hydroxy-isopimar-15-en-19-oic acid > A natural product found in Metasequoia glyptostroboides. > 2 > (1S,4aS,4bR,7S,8aR,10aR)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid > C20H32O3 > 320.46630 > 320.23514 > 0 > [H][C@]12CC[C@@](C)(C[C@]1(O)CC[C@@]1([H])[C@](C)(CCC[C@]21C)C(O)=O)C=C > InChI=1S/C20H32O3/c1-5-17(2)11-7-15-18(3)9-6-10-19(4,16(21)22)14(18)8-12-20(15,23)13-17/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1 > PJBQQIKTIGUTST-PDURBABISA-N > 21226514 $$$$