CDK 1018121544 30 34 0 0 0 0 0 0 0 0999 V2000 -1.6726 2.0236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6683 1.2046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9576 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0939 2.0279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3833 2.4439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3833 0.7930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0895 1.2046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2340 2.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6173 1.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 3.2585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1025 2.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8089 0.7930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3833 3.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 1.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 -1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 0.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 3.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 3.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 -1.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -0.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8089 2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5152 2.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2292 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8263 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6726 2.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0939 0.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 6 0 0 0 4 12 1 6 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 3 2 0 0 0 0 16 21 1 0 0 0 0 2 17 1 1 0 0 0 18 11 1 0 0 0 0 19 8 2 0 0 0 0 13 20 1 6 0 0 0 21 20 1 0 0 0 0 22 16 2 0 0 0 0 6 23 1 1 0 0 0 24 4 1 0 0 0 0 25 13 1 0 0 0 0 26 24 1 0 0 0 0 27 13 1 0 0 0 0 28 16 1 0 0 0 0 5 29 1 1 0 0 0 7 30 1 1 0 0 0 11 8 1 0 0 0 0 14 18 1 0 0 0 0 6 7 1 0 0 0 0 9 12 1 0 0 0 0 25 26 1 0 0 0 0 M END > CHEBI:70372 > longikaurin C > A natural product found in Isodon eriocalyx. > 2 > C22H30O6 > 390.47000 > 390.20424 > 0 > [H][C@@]12CC[C@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]22CCC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O > InChI=1S/C22H30O6/c1-12-14-5-6-15-20-8-4-7-19(3,10-27-13(2)23)16(20)18(25)22(26,28-11-20)21(15,9-14)17(12)24/h14-16,18,25-26H,1,4-11H2,2-3H3/t14?,15-,16+,18-,19-,20+,21-,22-/m0/s1 > HSMCZGYOVWATPU-FSKRNUERSA-N > 20949916 $$$$