Mrv1652306242119543D 36 37 0 0 0 0 999 V2000 3.4417 -0.1937 1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 0.1316 0.2831 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4723 0.1826 -1.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4966 1.1600 -0.8705 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 -0.3359 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 0.3375 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 0.0332 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 -0.9950 -0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -1.6980 -1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 -1.3710 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 -2.0887 -1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6521 -1.4479 -0.8478 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6870 -0.4344 -0.5923 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1091 0.9370 -0.2992 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2019 0.7656 0.8940 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8938 2.0358 1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 0.6503 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3157 -0.9074 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 -0.7004 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 1.3212 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 0.6860 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8306 -0.7132 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 2.0587 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 1.1587 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -2.5115 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 -2.8474 -1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -1.7774 -1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -2.3386 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3071 -0.7098 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3983 -0.3845 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9726 1.6061 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 1.3115 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 0.0368 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 2.9224 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8368 2.2427 2.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 1.8771 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 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 15 16 1 0 0 0 0 10 5 1 0 0 0 0 15 7 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 1 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 6 24 1 0 0 0 0 9 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 1 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 M END > NP0014283 > NP-MRD > [H]OC1=C([H])C2=C(C([H])=C1[C@@]([H])(C([H])([H])[H])C([H])([H])O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H] > InChI=1S/C14H20O2/c1-9-4-3-5-11-6-14(16)13(7-12(9)11)10(2)8-15/h6-7,9-10,15-16H,3-5,8H2,1-2H3/t9-,10-/m0/s1 > DKBQCOYMWZZNQT-RGURZIINSA-N > C14H20O2 > 220.312 > 220.146329884 > 2 > 36 > 25.98238216938971 > 1 > 2 > 0 > 1 > (5S)-3-(1-hydroxypropan-2-yl)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol > 3.23 > 3.2952380606666662 > -3.11 > 0 > 2 > 0 > 15.447458171528424 > 10.678470966229028 > -2.652134831193573 > 40.46 > 66.1122 > 2 > 1 > 1.71e-01 g/l > (5S)-3-(1-hydroxypropan-2-yl)-5-methyl-5,6,7,8-tetrahydronaphthalen-2-ol > 0 > NP0014283 > Hypoxylan A $$$$