Mrv0541 01211409562D 33 36 0 0 0 0 999 V2000 2.0440 -1.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -1.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -3.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -3.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -1.9223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4730 -0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 -0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 -1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -1.5098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4730 -2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 -1.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -1.5098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9019 -0.6848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9019 0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1155 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5445 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5445 -0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2589 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 0.3951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8299 0.8076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6865 -0.4299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4010 -0.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 -3.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8298 1.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -3.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 18 10 1 0 0 0 0 17 16 1 0 0 0 0 17 11 1 0 0 0 0 14 9 1 0 0 0 0 14 8 1 0 0 0 0 16 14 1 0 0 0 0 16 7 2 0 0 0 0 8 5 1 0 0 0 0 8 13 1 1 0 0 0 8 1 1 0 0 0 0 12 29 1 0 0 0 0 9 10 1 0 0 0 0 12 11 1 0 0 0 0 6 7 1 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 14 15 1 6 0 0 0 17 20 1 6 0 0 0 18 19 1 1 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 27 1 0 0 0 0 27 29 1 0 0 0 0 23 28 1 0 0 0 0 25 23 1 0 0 0 0 23 24 1 0 0 0 0 27 26 1 6 0 0 0 29 30 1 6 0 0 0 3 31 2 0 0 0 0 28 32 1 6 0 0 0 6 33 2 0 0 0 0 M END > CHEBI:68082 > ganodesterone > An ergostanoid that is (22E)-ergosta-4,7,22-triene substituted by oxo groups at positions 3 and 6. It has been isolated from the fungus, Xylaria species. > 3 > (22E)-ergosta-4,7,22-triene-3,6-dione > C28H40O2 > 408.61600 > 408.30283 > 0 > CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,27+,28+/m0/s1 > RMKUNHROPPZENV-IXWATKSXSA-N > 6535306 > 21428374 $$$$