Mrv1652306242117173D 37 39 0 0 0 0 999 V2000 3.8498 1.5394 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 0.2364 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8993 -0.0142 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8329 0.7723 0.5052 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5320 0.2557 0.0869 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7181 0.4381 -1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 1.0819 0.7813 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7887 2.3633 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8945 0.3597 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -0.8881 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 -1.7651 -0.0079 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1132 -3.0371 0.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6452 -1.1961 0.4331 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4673 -1.3620 1.8094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -1.9500 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 -1.4007 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 -1.9245 -1.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7025 -0.9336 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 -1.0307 -1.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5062 2.0353 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 2.1631 -1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 1.3360 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 1.8497 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9144 0.6542 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8199 0.3797 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 -0.4064 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 1.3988 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 1.3338 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3091 3.1248 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 2.7904 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 2.1800 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7457 0.9338 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0615 -1.3578 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -1.8319 -1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 -3.4121 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 -1.7281 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 -2.9879 -0.5581 H 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 2 1 0 0 0 0 16 3 1 0 0 0 0 13 5 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 1 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 6 0 0 0 12 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 M END > NP0015230 > NP-MRD > [H]O[C@@]1([H])C([H])=C([H])[C@]([H])(C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3=C(C(=O)OC3=C([H])[C@]12O[H])C([H])([H])[H] > InChI=1S/C15H18O4/c1-8-4-5-12(16)15(18)7-11-10(6-14(8,15)3)9(2)13(17)19-11/h4-5,7-8,12,16,18H,6H2,1-3H3/t8-,12-,14+,15-/m0/s1 > HEZAHRXDYSPIIV-WQLKMTMSSA-N > C15H18O4 > 262.305 > 262.12050906 > 3 > 37 > 27.58106573731765 > 1 > 2 > 0 > 1 > (4aR,5S,8S,8aR)-8,8a-dihydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,8H,8aH-naphtho[2,3-b]furan-2-one > 0.74 > 1.0654166563333338 > -2.20 > 0 > 3 > 0 > 14.420440436138218 > 12.789359828971406 > -3.432772464491878 > 66.76 > 72.3404 > 0 > 1 > 1.65e+00 g/l > (4aR,5S,8S,8aR)-8,8a-dihydroxy-3,4a,5-trimethyl-4H,5H,8H-naphtho[2,3-b]furan-2-one > 0 > NP0015230 > Acremeremophilane L $$$$