Mrv1652306242104293D 27 27 0 0 0 0 999 V2000 -3.6913 0.1095 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 0.0003 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -1.0002 -0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -1.9026 -1.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 -1.0627 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -0.1589 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8338 -0.2150 1.0782 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7378 0.5851 0.1758 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7274 0.1207 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0442 0.4137 0.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 0.8338 1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7419 0.9228 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5704 1.9277 1.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 0.0873 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8302 1.0005 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9491 -0.7931 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -2.6337 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 -1.8476 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 0.1573 2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2115 -1.2667 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 1.6669 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 0.5347 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 -0.9813 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 0.5040 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -0.5736 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.5805 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5226 1.9909 0.9692 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 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 2 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 4 17 1 0 0 0 0 5 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 6 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > NP0017928 > NP-MRD > [H]OC1=C([H])C(=C([H])C(O[H])=C1C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[H] > InChI=1S/C10H14O3/c1-6(11)3-8-4-9(12)7(2)10(13)5-8/h4-6,11-13H,3H2,1-2H3/t6-/m0/s1 > ZGYPPHPEZKVWET-LURJTMIESA-N > C10H14O3 > 182.219 > 182.094294311 > 3 > 27 > 19.576842515098335 > 1 > 3 > 0 > 1 > 5-[(2S)-2-hydroxypropyl]-2-methylbenzene-1,3-diol > 0.88 > 1.817423024333333 > -1.57 > 0 > 1 > 0 > 11.050141497678284 > 9.707668933150808 > -2.560362295397006 > 60.69 > 51.0507 > 2 > 1 > 4.90e+00 g/l > 5-[(2S)-2-hydroxypropyl]-2-methylbenzene-1,3-diol > 0 > NP0017928 > Chaetosemin I $$$$