HMDB0040583 RDKit 3D 2-Methylpropyl benzoate 27 27 0 0 0 0 0 0 0 0999 V2000 -2.3495 0.3012 1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -0.0559 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 0.0978 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 0.9222 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 0.9074 -0.4808 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -0.1924 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 -1.2653 -1.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -0.1103 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 1.0885 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7101 1.2055 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 0.0833 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -1.1220 -0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6369 -1.2122 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 0.9390 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 0.8950 1.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 -0.6252 2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -1.0826 -0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5543 -0.8858 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 0.8161 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 0.5224 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 1.9489 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 0.6888 -1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 1.9148 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1059 2.1548 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 0.1979 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -1.9729 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 -2.1603 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END