Mrv1652309092207082D 13 14 0 0 1 0 999 V2000 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -0.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3984 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 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 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 4 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 2 13 1 0 0 0 0 M END > NP0279664 > NP-MRD > C[C@H]1CC(C=O)=C2C=C(C)CC[C@H]12 > InChI=1S/C12H16O/c1-8-3-4-11-9(2)6-10(7-13)12(11)5-8/h5,7,9,11H,3-4,6H2,1-2H3/t9-,11+/m0/s1 > HCDJTUMTMPSUBK-GXSJLCMTSA-N > C12H16O > 176.259 > 176.120115135 > 1 > 29 > 20.907353718374203 > 1 > 0 > 0 > 1 > (1S,7aR)-1,5-dimethyl-2,6,7,7a-tetrahydro-1H-indene-3-carbaldehyde > 2.2616097933333337 > 0 > 2 > 0 > -4.371423061017257 > 17.07 > 55.373 > 1 > 1 > (3S,3aR)-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-indene-1-carbaldehyde > 1 > NP0279664 > (3s,3ar)-3,6-dimethyl-3,3a,4,5-tetrahydro-2h-indene-1-carbaldehyde $$$$