Mrv1652309062219342D 23 25 0 0 1 0 999 V2000 6.0185 4.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2252 3.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 3.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6369 2.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8436 1.8905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6386 1.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8454 0.8715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0521 0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 0.2932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0367 -0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 0.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 0.1554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8719 0.9541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4602 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2553 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 2.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 1.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 0.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -0.2880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3327 -1.1115 0.0000 C 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 6 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 5 16 1 0 0 0 0 16 17 1 4 0 0 0 17 18 1 0 0 0 0 14 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 1 0 0 0 M END > NP0235118 > NP-MRD > C[C@@H]1[C@@H]2CC[C@@]3(C)O[C@@H]3C[C@H](OC(C)=O)C(CO)=C[C@@H]2OC1=O > InChI=1S/C17H24O6/c1-9-12-4-5-17(3)15(23-17)7-13(21-10(2)19)11(8-18)6-14(12)22-16(9)20/h6,9,12-15,18H,4-5,7-8H2,1-3H3/t9-,12+,13+,14+,15-,17-/m1/s1 > OOQGTALDVAAYQA-UUOOPVRBSA-N > C17H24O6 > 324.373 > 324.157288493 > 4 > 47 > 32.99362661908259 > 1 > 1 > 0 > 1 > (1S,4R,6R,8S,11R,14R)-9-(hydroxymethyl)-4,14-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0^{4,6}]tetradec-9-en-8-yl acetate > 0.6304796146666657 > 0 > 3 > 0 > 15.073783402522281 > -2.7665271397367537 > 85.36000000000001 > 81.3016 > 3 > 1 > (1S,4R,6R,8S,11R,14R)-9-(hydroxymethyl)-4,14-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0^{4,6}]tetradec-9-en-8-yl acetate > 0 > NP0235118 > (1s,4r,6r,8s,11r,14r)-9-(hydroxymethyl)-4,14-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-8-yl acetate $$$$