Marvin 04260613352D 22 25 0 0 1 0 999 V2000 1.8036 -0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3045 -1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8036 1.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3045 1.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 0.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -1.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 -0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 -1.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3045 -0.2714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3045 0.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 0.1411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4100 -0.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 0.9661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0189 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 0.1411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0189 -0.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1245 -1.0964 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1245 -0.2714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1245 0.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 12 1 0 0 0 0 18 16 1 0 0 0 0 18 1 1 0 0 0 0 12 14 1 0 0 0 0 12 2 1 0 0 0 0 16 3 1 0 0 0 0 16 4 1 0 0 0 0 5 1 1 0 0 0 0 14 21 1 0 0 0 0 14 6 1 0 0 0 0 2 7 1 0 0 0 0 21 20 1 0 0 0 0 21 8 1 0 0 0 0 20 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 7 20 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 1 0 0 0 14 15 1 6 0 0 0 16 17 1 1 0 0 0 18 19 1 6 0 0 0 21 22 1 1 0 0 0 M END > CHEBI:23966 > estrane > 3 > Oestran; oestrane > estrane > C18H30 > 246.43080 > 246.23475 > 0 > [H][C@]12CCCCC1CC[C@]1([H])[C@]2([H])CC[C@]2(C)CCC[C@@]12[H] > InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1 > GRXPVLPQNMUNNX-MHJRRCNVSA-N > 3125721 > LMST02010000 $$$$