LMST01080093 LIPID_MAPS_STRUCTURE_DATABASE 34 39 0 0 0 999 V2000 6.7326 6.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8385 8.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8328 10.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9743 9.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9832 8.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7006 9.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 8.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4140 8.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4176 9.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5609 10.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8385 8.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7006 10.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 7.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 8.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 7.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9832 6.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8385 7.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2824 8.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4348 8.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4348 7.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2824 6.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 8.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5609 10.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2056 10.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2127 10.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2982 11.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2141 10.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2065 11.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0574 10.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1682 11.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8002 11.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0610 12.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 6.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8335 10.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 2 7 1 0 0 0 6 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 6 1 0 0 0 7 8 1 0 0 0 2 11 1 1 0 0 6 12 1 1 0 0 7 13 1 6 0 0 5 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 2 1 0 0 0 14 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 15 1 0 0 0 14 22 1 1 0 0 10 23 1 1 0 0 9 24 1 1 0 0 25 24 1 0 0 0 25 26 1 1 0 0 26 27 1 0 0 0 28 27 1 1 0 0 28 29 1 0 0 0 28 30 1 0 0 0 23 31 1 0 0 0 30 32 1 0 0 0 25 32 1 6 0 0 20 1 1 1 0 0 15 33 1 6 0 0 3 34 2 0 0 0 25 23 1 0 0 0 M END > LMST01080093 > 9(11)-dehydroxyhecogenin > (25R)-12-oxo-5alpha-spirost-9(11)en-3beta-ol > C27H40O4 > 428.29 > Sterol Lipids [ST] > Sterols [ST01] > Spirostanols and derivatives [ST0108] > - > (25R)-3beta-hydroxy-5alpha-spirost-9(11)en-12-one > YLZUMNXGXFXZNQ-DSOOVKJGSA-N > InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15-,16?,17+,18+,19-,21+,22+,24+,25+,26-,27-/m1/s1 > O[C@@H]1C[C@]2([H])CC[C@@]3([H])[C@]4([H])C[C@@H]5O[C@]6(C(C)[C@@H]5[C@@]4(C)C(=O)C=C3[C@@]2(C)CC1)OC[C@H](C)CC6 > - > - > - > ST 28:3;O4 > - > - > 52931483 > - > - > - > - > - > - > - $$$$