HMDB0013045 RDKit 3D Prostaglandin PGE2 glyceryl ester 68 68 0 0 0 0 0 0 0 0999 V2000 7.2023 -0.7618 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 -2.1716 -1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2474 -2.8978 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6587 -2.3998 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9401 -1.1047 0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 -1.0755 -0.0382 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8156 -1.3578 -1.3571 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 0.3378 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6843 0.7821 1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 2.1361 1.5150 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8762 2.7978 2.6763 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1352 3.2574 2.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 3.9791 2.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6073 3.5407 2.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 4.1958 2.5396 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 2.1548 1.9969 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2383 1.8405 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 1.8462 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 0.8159 1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 -0.5106 0.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9912 -0.8201 -0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4543 -0.8341 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 -1.1420 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7668 -1.3480 -2.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6858 -1.2144 -1.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4608 -1.5060 -2.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4119 -0.3914 -2.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 0.7808 -3.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2581 -2.7843 -2.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1341 -2.7223 -1.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1982 -0.4865 -1.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8796 -0.4922 -2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5850 -0.0412 -0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -2.7396 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 -2.3384 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -3.0001 -1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5382 -3.9884 -0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5003 -2.4108 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9477 -3.1859 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 -0.9080 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 -0.2195 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8733 -1.7114 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -0.9283 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 1.0302 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 0.0987 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 2.7962 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 2.1051 3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7614 3.0295 3.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 4.8297 2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9572 4.2425 4.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 1.4709 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 0.9247 0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 2.6502 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0599 2.7773 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 0.9502 1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.6204 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.3019 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -1.7864 -0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -0.0508 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6864 -1.5550 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7527 0.1838 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 -1.6503 -3.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1610 -0.1750 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9513 -0.7162 -3.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1838 1.3697 -3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 -3.6570 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7860 -2.9964 -3.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8050 -2.0082 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 16 10 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 1 7 43 1 0 8 44 1 0 9 45 1 0 10 46 1 6 11 47 1 1 12 48 1 0 13 49 1 0 13 50 1 0 16 51 1 1 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 28 65 1 0 29 66 1 0 29 67 1 0 30 68 1 0 M END