Mrv1652306192118533D 37 40 0 0 0 0 999 V2000 4.7487 0.5526 1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7053 0.3363 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 0.0839 -0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 0.2028 -1.5991 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -0.2922 -1.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7419 -0.5676 -0.3855 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2414 0.2760 0.7772 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8974 -0.3247 2.1262 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4483 -0.4059 2.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -0.4385 1.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 -0.5013 2.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 -0.4574 0.1950 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8389 0.5391 -0.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3878 -1.8535 -0.2383 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1412 -1.9412 -1.7083 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5011 -0.7683 -2.4448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 -0.9471 -2.0931 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7536 -1.1332 -3.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 -0.1694 -0.8418 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7651 0.5594 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 0.7431 2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -1.6460 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 1.2997 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 0.2908 2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 -1.3266 2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -0.4389 3.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5564 -1.3953 2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 0.3830 2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -0.5400 3.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 0.4294 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -1.9490 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8521 -2.6685 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2127 -2.9129 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5569 -1.8478 -3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1895 -0.1806 -3.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1823 -1.5274 -4.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 0.8932 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 19 12 1 0 0 0 0 7 6 1 0 0 0 0 12 10 1 0 0 0 0 12 14 1 0 0 0 0 10 9 2 0 0 0 0 6 5 1 0 0 0 0 9 8 1 0 0 0 0 19 6 1 0 0 0 0 8 7 1 0 0 0 0 10 11 1 0 0 0 0 5 3 1 0 0 0 0 2 1 2 3 0 0 0 3 2 1 0 0 0 0 3 4 2 0 0 0 0 7 2 1 0 0 0 0 17 18 1 6 0 0 0 14 15 1 0 0 0 0 19 37 1 6 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 19 1 0 0 0 0 12 13 1 1 0 0 0 6 22 1 1 0 0 0 7 23 1 1 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 6 0 0 0 9 26 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 13 30 1 0 0 0 0 M END > NP0024523 > NP-MRD > [H]O[C@]12C(=C([H])C([H])([H])[C@@]3([H])C(=C([H])[H])C(=O)O[C@]3([H])[C@@]1([H])[C@@]1(O[C@]1([H])C2([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H18O4/c1-7-4-5-9-8(2)13(16)18-11(9)12-14(3)10(19-14)6-15(7,12)17/h4,9-12,17H,2,5-6H2,1,3H3/t9-,10+,11-,12-,14+,15+/m0/s1 > NGYJYTUCBSUEIL-ABBQYLIMSA-N > C15H18O4 > 262.305 > 262.12050906 > 3 > 37 > 27.479551608875443 > 1 > 1 > 0 > 1 > (1R,2S,6S,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.0^{2,6}.0^{12,14}]tetradec-8-en-4-one > 1.18 > 1.1291484753333332 > -1.81 > 0 > 4 > 0 > 13.750134132642213 > -3.345491330382295 > 59.06 > 67.9018 > 0 > 1 > 4.04e+00 g/l > (1R,2S,6S,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.0^{2,6}.0^{12,14}]tetradec-8-en-4-one > 0 > NP0024523 > 8-Desoxy-3alpha,4alpha-epoxyrupiculin A $$$$