Marvin 02081312162D 39 41 0 0 0 0 999 V2000 5.6613 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0779 1.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8645 0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 -0.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 -1.2606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9189 -1.6687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9194 -0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2073 -0.4356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2062 -1.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4953 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4974 -0.0200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7825 -0.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1661 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3452 -1.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9196 -2.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6341 -2.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 -2.9066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2106 -2.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5916 -2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2147 0.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 -0.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0731 -0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 1.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1073 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1944 0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0008 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9152 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 1.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 1.8642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 2.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6136 0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0221 2.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5752 3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 35 2 1 0 0 0 0 2 36 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 6 0 0 0 6 22 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 1 0 0 0 8 7 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 1 0 0 0 8 9 1 0 0 0 0 9 21 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 12 24 1 1 0 0 0 12 13 1 0 0 0 0 16 12 1 0 0 0 0 13 25 1 6 0 0 0 13 14 1 0 0 0 0 14 27 2 0 0 0 0 14 15 1 0 0 0 0 15 26 2 0 0 0 0 15 16 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:72310 > globostellatic acid D > A tricyclic triterpenoid of the isomalabaricane group. > 3 > (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-hydroxy-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid > C31H46O6 > 514.69330 > 514.32944 > 0 > [H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(C)/C=C/C=C(C)/C=C/C(OC)C(C)(C)O)[C@@]1(C)CC[C@@H](O)[C@]2(C)C(O)=O > InChI=1S/C31H46O6/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35)/b11-9+,13-12+,19-10+,26-20+/t22-,23+,24-,25?,29+,30+,31-/m1/s1 > SZHMATBACCQYNZ-LMRICTRBSA-N > 15812092 $$$$