HMDB0037455 RDKit 3D Chrysoeriol 7-O-(6''-malonyl-glucoside) 63 66 0 0 0 0 0 0 0 0999 V2000 6.0214 -1.3887 3.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1054 -0.6000 3.2063 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0684 0.2380 2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9626 0.4064 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9555 1.2631 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7181 1.3869 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6246 2.2062 -1.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 2.3112 -2.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3452 3.0459 -3.4154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 1.5672 -2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 1.6025 -2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 2.4199 -3.8043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 0.8239 -2.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 0.0013 -1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -0.7881 -0.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -0.8925 -1.1971 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0739 -0.3786 -0.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3115 -0.6256 -0.9470 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2470 0.5010 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 1.0030 0.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 0.4090 1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 -0.7318 1.0716 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8227 1.0699 2.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6964 0.1671 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0414 -0.9644 2.9103 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1419 0.6140 4.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7127 -1.9944 -0.5517 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8497 -2.3881 -1.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5607 -2.9481 -0.9091 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1126 -3.6528 0.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4565 -2.2752 -1.6399 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7215 -2.3448 -3.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -0.0023 -0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5049 0.7564 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 0.7012 -0.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1045 1.9429 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2466 1.7959 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2176 0.9445 1.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 0.7790 2.6014 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4523 -0.8475 4.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 -1.6904 2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3646 -2.3347 4.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 -0.1298 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 2.7995 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 2.4370 -4.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8184 0.8772 -2.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 -0.2436 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0643 -0.7072 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1315 0.2181 -1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 1.3396 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8611 1.2355 3.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 2.0262 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9533 1.2253 4.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8431 -2.1520 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5648 -2.6470 -2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -3.7197 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 -3.2501 1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 -2.9261 -1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3255 -3.1221 -3.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 -0.6400 0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1237 2.6174 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1247 2.3560 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1784 1.2974 2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 18 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 14 33 1 0 33 34 2 0 34 35 1 0 5 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 38 3 1 0 35 6 1 0 34 10 1 0 31 16 1 0 1 40 1 0 1 41 1 0 1 42 1 0 4 43 1 0 7 44 1 0 12 45 1 0 13 46 1 0 16 47 1 6 18 48 1 6 19 49 1 0 19 50 1 0 23 51 1 0 23 52 1 0 26 53 1 0 27 54 1 1 28 55 1 0 29 56 1 6 30 57 1 0 31 58 1 6 32 59 1 0 33 60 1 0 36 61 1 0 37 62 1 0 39 63 1 0 M END