CDK 1018121544 25 27 0 0 0 0 0 0 0 0999 V2000 9.0750 -18.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -19.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7870 -20.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7870 -18.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4990 -18.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4955 -19.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2043 -20.1049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9211 -19.6977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2113 -18.4549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9247 -18.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6434 -18.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6550 -17.6449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9417 -17.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2167 -17.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7879 -20.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -20.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -20.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 -18.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6332 -20.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 -19.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3747 -17.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0838 -17.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 -16.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7870 -17.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1997 -20.9299 0.0000 O 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 2 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 0 0 0 0 6 7 1 0 0 0 0 6 17 1 6 0 0 0 7 8 1 0 0 0 0 5 18 1 1 0 0 0 8 10 1 0 0 0 0 8 19 1 6 0 0 0 9 10 1 0 0 0 0 9 20 1 6 0 0 0 3 6 1 0 0 0 0 12 21 1 0 0 0 0 5 4 1 0 0 0 0 21 22 2 0 0 0 0 5 6 1 0 0 0 0 12 23 1 1 0 0 0 4 24 1 1 0 0 0 1 2 1 0 0 0 0 7 25 1 6 0 0 0 M END > CHEBI:69498 > Sphaeropsidin F > A natural product found in Smardaea species. > 2 > (1beta,6alpha,7alpha,13alpha)-Pimara-8(14),15-diene-1,6,7,9-tetrol > C20H32O4 > 336.46570 > 336.23006 > 0 > [H][C@@]12[C@@H](O)[C@@H](O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(C)[C@H](O)CCC2(C)C)C=C > InChI=1S/C20H32O4/c1-6-18(4)9-10-20(24)12(11-18)14(22)15(23)16-17(2,3)8-7-13(21)19(16,20)5/h6,11,13-16,21-24H,1,7-10H2,2-5H3/t13-,14+,15+,16+,18+,19+,20-/m1/s1 > MDMNBGISPKQWRE-KNEKMNIZSA-N > 21999655 $$$$