HMDB0041263 RDKit 3D 6''-O-Malonyldaidzin 58 61 0 0 0 0 0 0 0 0999 V2000 -10.0457 -0.6202 1.4958 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9304 -0.2086 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3996 0.9311 1.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2774 -0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9773 -0.3578 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5835 0.6756 0.1901 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2263 -0.9104 -1.3504 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0193 -0.6126 -1.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7467 -0.8291 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7285 -0.3777 -2.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 0.5550 -1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 0.0022 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 0.0532 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 0.7177 -1.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 0.7719 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 0.1554 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 0.2304 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 0.8388 -1.4961 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 -0.3986 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7150 -0.3890 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -1.5103 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8305 -1.4258 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4848 -0.2420 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8795 -0.1891 0.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7572 0.8879 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3904 0.7965 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -1.0467 1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 -1.0952 1.3828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 -0.5042 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1084 -0.5750 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7238 1.5749 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9059 2.6720 -0.4438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 0.8636 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9528 1.6324 1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 -0.4996 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -1.4192 0.8632 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8293 0.9439 2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9242 -0.9361 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -2.0256 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9456 -1.2690 -2.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0201 0.4210 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5904 -1.9785 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4318 1.1191 -2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5677 1.2345 -2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 1.2924 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9474 -2.4614 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4197 -2.3011 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3479 0.6873 0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2319 1.8183 0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8441 1.7245 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0921 -1.5383 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -1.0989 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5823 1.9408 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 2.8145 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1502 0.7888 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8674 2.6007 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5406 -0.7052 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 -2.2451 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 19 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 11 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 9 1 0 30 13 1 0 29 16 1 0 26 20 1 0 3 37 1 0 4 38 1 0 4 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 11 43 1 0 14 44 1 0 15 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 30 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 35 57 1 0 36 58 1 0 M END