CDK 1018121544 34 37 0 0 0 0 0 0 0 0999 V2000 -0.3638 -24.2761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7854 -24.2720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3596 -25.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -23.8615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7812 -25.0970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0746 -25.5115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3511 -24.6865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0746 -23.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 -23.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -23.0450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5004 -25.5115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0746 -26.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -23.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 -23.8615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3596 -26.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 -25.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 -27.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 -22.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -23.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0942 -26.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2069 -25.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 -26.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 -26.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 -27.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2069 -24.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0619 -25.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7939 -23.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5004 -23.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -26.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -27.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 -28.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -23.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -25.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0783 -22.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 1 7 1 0 0 0 0 8 7 1 0 0 0 0 1 9 1 6 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 6 12 1 1 0 0 0 13 4 1 0 0 0 0 14 2 1 0 0 0 0 15 12 1 0 0 0 0 16 3 2 0 0 0 0 17 22 1 0 0 0 0 18 10 1 0 0 0 0 19 8 2 0 0 0 0 11 20 1 6 0 0 0 21 11 1 0 0 0 0 22 20 1 0 0 0 0 23 15 2 0 0 0 0 24 17 2 0 0 0 0 25 14 1 0 0 0 0 7 26 1 1 0 0 0 2 27 1 6 0 0 0 14 28 1 6 0 0 0 29 11 1 0 0 0 0 30 15 1 0 0 0 0 31 17 1 0 0 0 0 4 32 1 1 0 0 0 5 33 1 1 0 0 0 10 8 1 0 0 0 0 6 5 1 0 0 0 0 13 18 1 0 0 0 0 21 25 1 0 0 0 0 10 34 1 6 0 0 0 M END > CHEBI:70367 > Maoesin E, (rel)- > A natural product found in Isodon eriocalyx. > 2 > rel-6beta,19-diacetoxy-1alpha,15beta-dihydroxy-ent-kaur-16-en-7-one > C24H34O7 > 434.52260 > 434.23045 > 0 > [H][C@@]12CC[C@@]3([H])[C@]4(C)[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](OC(C)=O)C(=O)[C@]3(C1)[C@H](O)C2=C > InChI=1S/C24H34O7/c1-12-15-6-7-16-23(5)17(27)8-9-22(4,11-30-13(2)25)19(23)18(31-14(3)26)21(29)24(16,10-15)20(12)28/h15-20,27-28H,1,6-11H2,2-5H3/t15-,16+,17+,18+,19-,20-,22+,23-,24+/m1/s1 > YLAQTEHVFWEICH-MQAPUGLSSA-N > 20949916 $$$$