HMDB0041171 RDKit 3D Peonidin 3-lathyroside 73 77 0 0 0 0 0 0 0 0999 V2000 -5.1663 3.0174 -2.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2273 3.7630 -1.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2485 3.1040 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1092 1.7516 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 1.0835 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0893 -0.3375 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0072 -0.9659 -1.0220 O 0 0 0 0 0 3 0 0 0 0 0 0 -3.0925 -2.2555 -1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0801 -2.8101 -1.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1941 -4.1756 -2.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1963 -4.7358 -2.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3319 -5.0315 -1.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 -4.4927 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 -5.3553 -0.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2165 -3.1152 -0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 -2.5346 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -1.1487 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2413 -0.6052 1.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 -1.1418 1.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 -0.7869 3.1956 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 0.2360 3.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1074 0.2112 5.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8407 1.2722 5.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7356 0.2827 3.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 1.5018 2.8997 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -0.8268 2.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9672 -2.0231 3.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 -0.7596 1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1104 0.4712 0.6986 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4574 0.3601 -0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3609 0.7095 -1.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 0.7321 -2.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 0.0019 -3.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1713 0.0706 -4.4874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0925 0.7406 -2.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 1.8073 -3.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 1.1954 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2772 2.5469 -1.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 1.9051 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3677 3.3062 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 3.8915 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 5.2752 -0.3096 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7151 2.6232 -3.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0599 3.6684 -2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5781 2.1886 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 1.1726 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7802 -2.1424 -2.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0758 -4.9462 -2.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 -6.0959 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 -5.1209 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -3.1698 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 -2.2432 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8211 1.1919 3.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 0.3910 5.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3837 -0.7593 5.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 1.1971 6.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 0.1321 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 2.2381 3.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -0.7075 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 -1.9208 4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -1.5160 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6775 -0.7141 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8544 1.8021 -3.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 0.3450 -3.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -1.0710 -2.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 0.0825 -4.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9797 0.0707 -2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 2.3041 -2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 1.1381 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 2.7079 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 1.4653 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 3.8699 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 5.6835 -0.8611 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 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 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 5 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 3 1 0 17 6 1 0 28 19 1 0 37 30 1 0 15 8 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 9 47 1 0 11 48 1 0 12 49 1 0 14 50 1 0 16 51 1 0 19 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 27 60 1 0 28 61 1 0 30 62 1 0 32 63 1 0 32 64 1 0 33 65 1 0 34 66 1 0 35 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 39 71 1 0 40 72 1 0 42 73 1 0 M CHG 1 7 1 M END