Mrv1533004201501472D 15 16 0 0 0 0 999 V2000 -0.3602 -3.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 -2.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 -2.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2537 -3.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 -0.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 -0.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 -0.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 0.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 -0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 -0.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 -1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 -1.3886 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 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 5 15 2 0 0 0 0 8 15 1 0 0 0 0 M END > NP0211347 > NP-MRD > COC(=O)C1=C2C=CC=CC(C)=C2C=C1 > InChI=1S/C13H12O2/c1-9-5-3-4-6-11-10(9)7-8-12(11)13(14)15-2/h3-8H,1-2H3 > VECUFUHSQSGXTO-UHFFFAOYSA-N > C13H12O2 > 200.237 > 200.083729626 > 1 > 27 > 22.234974729520893 > 1 > 0 > 0 > 1 > methyl 4-methylazulene-1-carboxylate > 2.95 > 3.4796209259999995 > -2.88 > 0 > 2 > 0 > -6.9108426172050885 > 26.3 > 59.574700000000014 > 2 > 1 > 2.66e-01 g/l > methyl 4-methylazulene-1-carboxylate > 1 > NP0211347 > methyl 4-methylazulene-1-carboxylate $$$$