14635441 CDK 1019211605 28 32 0 0 0 0 0 0 0 0999 V2000 4.2115 -1.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -0.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -2.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 -1.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.3173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6578 0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3492 0.6623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7134 -0.6201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4596 -0.9793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1402 -0.5076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0044 -1.1114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9806 1.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 2.0591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7820 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1693 0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 -1.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 -1.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7341 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 0.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 -0.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6135 2.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 10 2 1 1 0 0 0 3 22 2 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 6 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 6 0 0 0 7 13 1 0 0 0 0 7 25 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 1 0 0 0 9 10 1 0 0 0 0 9 27 1 1 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 1 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 6 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 18 21 1 0 0 0 0 20 24 2 0 0 0 0 M END > CHEBI:182585 > 7beta,18-Dihydroxykaurenolide > 2 > (1S,2S,5R,8R,9R,10R,13R,17S)-9-hydroxy-13-(hydroxymethyl)-1-methyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one > C20H28O4 > 332.440 > 332.19876 > 0 > O1[C@@]2([C@]3([C@]([C@]4([C@@]5([C@H]2O)C[C@@](CC4)(C(C5)=C)[H])[H])(CCC[C@]3(C1=O)CO)C)[H])[H] > InChI=1S/C20H28O4/c1-11-8-20-9-12(11)4-5-13(20)18(2)6-3-7-19(10-21)15(18)14(16(20)22)24-17(19)23/h12-16,21-22H,1,3-10H2,2H3/t12-,13+,14-,15+,16+,18+,19+,20+/m1/s1 > RDUNXXWNAKBVER-AJHBJYRYSA-N $$$$