Mrv1652306242117493D 29 29 0 0 0 0 999 V2000 4.4579 0.4335 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9608 0.7409 -0.0017 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2479 -0.3089 0.7929 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7690 -0.1308 0.8954 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1548 -0.1513 -0.4716 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4596 -1.3936 -1.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 0.0453 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 1.2585 -0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2211 1.4779 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0616 0.4619 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -0.7610 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4076 -1.7679 0.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 -0.9305 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -0.6223 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 1.0773 -0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 0.5109 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 1.7275 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 0.7492 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 -1.3312 0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 -0.3142 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 0.8207 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3899 -1.0144 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6311 0.6359 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 -2.0088 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2194 2.0808 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6701 2.4176 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 0.6096 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7704 -2.4154 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 -1.8970 0.3233 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 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 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 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 7 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 6 0 0 0 6 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 M END > NP0003699 > NP-MRD > [H]OC1=C([H])C(=C([H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C11H16O2/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h4-6,8,11-13H,2-3,7H2,1H3/t11-/m1/s1 > RUMUPMSZUNLFBX-UHFFFAOYSA-N > C11H16O2 > 180.247 > 180.115029755 > 2 > 29 > 20.86101743717842 > 1 > 2 > 0 > 1 > 3-[(1R)-1-hydroxypentyl]phenol > 2.53 > 2.730565476666667 > -1.90 > 0 > 1 > 0 > 14.604844164232162 > 9.365517984537922 > -3.0475678120373706 > 40.46 > 52.9996 > 4 > 1 > 2.29e+00 g/l > 3-[(1R)-1-hydroxypentyl]phenol > 0 > NP0003699 > 3-(1′-Hydroxypentyl)phenol $$$$