Mrv1652304282218082D 19 20 0 0 1 0 999 V2000 -0.0474 0.1770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3651 0.8915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1901 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -0.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5437 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -0.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1463 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 -1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8172 -2.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3891 -2.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -0.2103 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 2 7 1 1 0 0 0 3 8 1 0 0 0 0 1 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 1 19 1 6 0 0 0 M END > NP0070684 > NP-MRD > CC(=O)OC\C(C)=C/CC[C@]1(C)[C@@H]2C[C@H]1C(C)=CC2 > InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)15-8-7-13(2)16(17)10-15/h6-7,15-16H,5,8-11H2,1-4H3/b12-6-/t15-,16-,17+/m0/s1 > BDYQEBZJCFGMCH-PQNDISRJSA-N > C17H26O2 > 262.393 > 262.193280077 > 1 > 45 > 31.471880996929432 > 1 > 0 > 0 > 1 > (2Z)-5-[(1S,5S,6R)-2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl]-2-methylpent-2-en-1-yl acetate > 5.13 > 3.621729975 > -4.40 > 0 > 2 > 0 > -7.004991092636715 > 26.3 > 79.4511 > 6 > 1 > 1.05e-02 g/l > (2Z)-5-[(1S,5S,6R)-2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl]-2-methylpent-2-en-1-yl acetate > 1 > NP0070684 > (Z)-alpha-trans-Bergamotol acetate $$$$