HMDB0013043 RDKit 3D Prostaglandin PGE2 1-glyceryl ester 68 68 0 0 0 0 0 0 0 0999 V2000 -6.7113 -3.8176 -1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9645 -2.3555 -1.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6582 -1.6403 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7421 -1.7119 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -1.0803 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4418 -1.1649 1.4899 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0506 -0.5811 2.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1533 -0.4475 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 0.6416 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 1.4160 0.2276 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0568 2.8453 0.7413 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2535 2.8763 1.4906 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 3.1409 1.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 1.8703 1.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 1.5724 2.7919 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 0.9273 0.7908 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5987 1.0392 -0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 2.4430 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 3.1052 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 2.5501 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1612 2.6957 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 2.1865 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 0.7330 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 0.0575 -0.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7068 0.2248 0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 -1.1095 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8006 -2.0475 -0.3904 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5919 -2.0577 -1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0053 -3.4798 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0184 -4.3561 -0.9532 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6679 -4.3514 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0808 -4.2346 -2.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -3.8724 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5721 -1.9014 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5443 -2.3111 -2.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1394 -2.0811 -2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8662 -0.5783 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -1.0941 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 -2.7291 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7579 -0.0633 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3041 -1.6952 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2746 -2.2280 1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9308 0.3983 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -0.8488 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 0.9974 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 1.4395 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2049 3.5609 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 3.7588 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3239 3.4446 2.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 3.9815 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 -0.1091 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 0.5035 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 0.5234 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 2.9077 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 4.1720 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 3.1989 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 1.5326 0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 3.7505 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 2.1480 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 2.7817 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 2.3335 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 -1.4342 1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 -1.2289 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6541 -1.8070 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6889 -2.1163 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9639 -3.4680 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1723 -3.7184 0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6715 -4.0373 -1.6322 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 27 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 6 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 26 63 1 0 27 64 1 6 28 65 1 0 29 66 1 0 29 67 1 0 30 68 1 0 M END