HMDB0040218 RDKit 3D 2-Phenoxyethyl isobutyrate 31 31 0 0 0 0 0 0 0 0999 V2000 -4.0173 0.3569 -2.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 -0.7208 -2.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 -1.5962 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 -0.0934 -1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6565 -0.3105 -2.3641 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 0.7614 -0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 1.3736 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 0.4384 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 1.2226 0.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 0.6479 1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 1.4398 1.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 0.8549 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 -0.5131 2.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 -1.3022 2.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 -0.7187 1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 1.3404 -2.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2751 0.2086 -3.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9493 0.3353 -2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -1.3014 -3.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -1.0494 -0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 -2.6015 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -1.6760 -1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 2.0349 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 2.0039 0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -0.1610 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -0.2823 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 2.5038 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4435 1.4697 2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -0.9812 2.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 -2.3684 2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 -1.3160 1.0728 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 15 31 1 0 M END