Mrv1652309042219562D 26 29 0 0 1 0 999 V2000 0.8527 3.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 1.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 2.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 1.9001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5178 2.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 1.4259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8663 1.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5693 2.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 2.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 1.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 0.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 0.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 0.6454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5231 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 0.4831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7805 -0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3461 0.0607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8861 0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 1.1181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5246 1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 0.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 0.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 1 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 22 21 1 6 0 0 0 5 22 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > NP0199317 > NP-MRD > CC(=O)O[C@H]1C[C@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12C=C3C=O > InChI=1S/C22H32O4/c1-14(25)26-19-9-18-20(2,13-24)7-4-8-21(18,3)17-6-5-15-10-22(17,19)11-16(15)12-23/h11-12,15,17-19,24H,4-10,13H2,1-3H3/t15-,17+,18+,19+,20-,21+,22-/m1/s1 > VUWCBJZHKZQBPX-QEGKIEECSA-N > C22H32O4 > 360.494 > 360.23005951 > 3 > 58 > 40.199380604576206 > 1 > 1 > 0 > 1 > (1R,2S,4R,5S,9R,10S,13R)-14-formyl-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-2-yl acetate > 2.520824028333335 > 0 > 4 > 0 > 18.592292799186545 > -1.2274316183484784 > 63.6 > 99.95239999999997 > 4 > 1 > (1R,2S,4R,5S,9R,10S,13R)-14-formyl-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-2-yl acetate > 0 > NP0199317 > (1r,2s,4r,5s,9r,10s,13r)-14-formyl-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-2-yl acetate $$$$