HMDB0038820 RDKit 3D Isorhamnetin 3-(6''-malonylglucoside) 64 67 0 0 0 0 0 0 0 0999 V2000 -1.9606 -4.2684 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0042 -3.9622 0.9346 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5393 -2.7248 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 -1.6285 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -0.3594 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9996 0.8541 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 1.9380 0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 3.0880 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3483 4.1802 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 5.4064 -0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 6.4961 -0.8056 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8706 5.5939 -1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9701 4.5166 -1.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 4.7860 -2.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 3.2934 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 2.2089 -1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 2.2814 -1.7574 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 0.9640 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 -0.0660 -0.7311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.1652 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2555 0.4692 -0.4902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 -0.0734 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 0.8983 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 0.3219 -0.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 -0.7951 -0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6588 -1.3818 -1.7963 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6843 -1.3737 -0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4147 -0.6160 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 0.4132 0.9477 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6656 -1.0147 0.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6304 -0.5282 1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 -0.7794 1.4392 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -1.7454 1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -2.8397 0.9273 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 -1.5820 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6855 -2.3410 -0.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5394 -0.2368 1.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0702 -1.3047 2.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5802 -2.5621 2.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1177 -3.6366 2.7485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9595 -3.6748 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 -5.3320 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 -4.1946 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2096 -1.7745 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 4.0496 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8088 6.3726 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 6.5310 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 4.2008 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 0.4601 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -0.9878 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 1.2111 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 1.7764 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 -2.4128 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2787 -1.4433 -1.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 -0.7959 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 0.3056 1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 -1.3873 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -1.8837 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3414 -3.6029 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 -1.9833 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 -3.2221 -0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9661 0.7341 1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8942 -1.1873 2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8794 -3.4832 3.3945 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 22 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 5 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 39 3 1 0 18 6 2 0 35 20 1 0 15 8 1 0 1 41 1 0 1 42 1 0 1 43 1 0 4 44 1 0 9 45 1 0 11 46 1 0 12 47 1 0 14 48 1 0 20 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 27 53 1 0 27 54 1 0 30 55 1 0 31 56 1 0 32 57 1 0 33 58 1 0 34 59 1 0 35 60 1 0 36 61 1 0 37 62 1 0 38 63 1 0 40 64 1 0 M END