HMDB0010327 RDKit 3D Dehydroisoandrosterone 3-glucuronide 69 73 0 0 0 0 0 0 0 0999 V2000 -4.4663 1.1440 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0008 0.6846 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6276 1.5418 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 1.5963 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3896 0.4517 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 -0.8366 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3368 -1.6977 0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -1.8524 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 -0.9740 -0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9255 -1.2095 -1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 0.0162 -0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 -0.0604 -1.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 0.2059 -0.1441 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6732 1.3157 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9528 1.3306 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9745 0.9496 -1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5925 0.6733 -2.2014 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2990 0.9337 -0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1327 0.5970 1.2624 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6005 1.3487 2.3127 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 -0.8110 1.2637 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6656 -1.7474 1.3137 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 -1.0253 0.0656 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8932 -2.0756 0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 1.1788 -1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2288 1.4699 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 0.2630 -0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5533 0.1662 -2.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -0.7357 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1432 -1.5160 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5603 -0.9220 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 0.4199 0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3258 1.1779 0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2962 1.4483 2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8385 0.4534 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8807 2.0983 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0609 2.5666 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0636 1.0900 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 2.5275 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 1.8075 -1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 0.7042 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9608 -1.3797 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -1.2081 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8364 -2.6797 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 -2.7307 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 -1.3832 -2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3287 -2.0924 -0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6403 0.2854 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 0.4448 0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 2.4153 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8551 0.0947 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2402 0.5553 1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 0.7329 3.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -1.0041 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -2.6219 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 -1.3446 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7678 -2.6856 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 2.0530 -1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.8196 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 2.3352 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 1.6044 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6311 -0.0637 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 1.1351 -2.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 -0.6440 -2.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1504 -0.9644 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -2.6145 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6999 -1.3881 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8959 -0.8017 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2415 -1.5666 0.7414 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 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 29 2 1 0 32 2 1 0 27 5 1 0 27 9 1 0 23 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 13 49 1 1 15 50 1 0 18 51 1 0 19 52 1 1 20 53 1 0 21 54 1 1 22 55 1 0 23 56 1 6 24 57 1 0 25 58 1 0 25 59 1 0 26 60 1 0 26 61 1 0 28 62 1 0 28 63 1 0 28 64 1 0 29 65 1 0 30 66 1 0 30 67 1 0 31 68 1 0 31 69 1 0 M END