Mrv1652304292205252D 20 20 0 0 1 0 999 V2000 5.9368 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 6.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 4.6184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6993 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 3.1895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6993 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 3.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 11 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 2 20 1 0 0 0 0 M END > NP0082395 > NP-MRD > CC(C)C[C@H](C[C@H](C)C1=C(O)C=C(C)C=C1)OC(C)=O > InChI=1S/C17H26O3/c1-11(2)8-15(20-14(5)18)10-13(4)16-7-6-12(3)9-17(16)19/h6-7,9,11,13,15,19H,8,10H2,1-5H3/t13-,15+/m0/s1 > LOSQGHYFSDCVBK-DZGCQCFKSA-N > C17H26O3 > 278.392 > 278.188194697 > 2 > 46 > 32.71538929285746 > 1 > 1 > 0 > 1 > (2S,4R)-2-(2-hydroxy-4-methylphenyl)-6-methylheptan-4-yl acetate > 4.36 > 4.547811674000001 > -4.15 > 0 > 1 > 0 > 9.461038639753347 > -6.007591805884041 > 46.53 > 81.0445 > 7 > 1 > 1.97e-02 g/l > (2S,4R)-2-(2-hydroxy-4-methylphenyl)-6-methylheptan-4-yl acetate > 0 > NP0082395 > (-)-Parahigginol C $$$$