Mrv1533004241510552D 18 19 0 0 0 0 999 V2000 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 3.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4243 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5314 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 0.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 -0.2164 0.0000 O 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 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > NP0289618 > NP-MRD > CC1=CC=C2C(=C1CO)C(C)(CO)CC2(C)CO > InChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3 > YPJRKTIWVUVMDI-UHFFFAOYSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 28.33346054451571 > 1 > 3 > 0 > 1 > [3,7-bis(hydroxymethyl)-1,3,6-trimethyl-2,3-dihydro-1H-inden-1-yl]methanol > 1.43 > 1.3395930983333328 > -2.55 > 0 > 2 > 0 > 15.017752719995265 > 14.53055161712824 > -2.7859649795291404 > 60.69 > 72.3931 > 3 > 1 > 7.01e-01 g/l > [3,7-bis(hydroxymethyl)-1,3,6-trimethyl-2H-inden-1-yl]methanol > 0 > NP0289618 > [3,7-bis(hydroxymethyl)-1,3,6-trimethyl-2h-inden-1-yl]methanol $$$$