HMDB0041239 RDKit 3D ent-Epicatechin-(4alpha->6)-ent-epicatechin 68 73 0 0 0 0 0 0 0 0999 V2000 -3.6965 -5.1603 1.7825 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2843 -3.8926 1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -3.2211 2.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 -1.9646 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 -1.3235 2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4898 -1.3624 0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5014 -2.0066 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 -3.2925 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1474 -1.4354 -1.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8692 -0.1566 -1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9623 0.7381 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 0.6747 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4698 1.5168 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9708 2.4210 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9834 3.2816 0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4759 2.4919 -1.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9968 3.4026 -2.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4669 1.6496 -2.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 0.3495 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 0.0120 -2.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0765 -0.0216 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 0.2000 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2109 1.3715 0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1497 2.2969 1.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 1.6379 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 0.7039 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 -0.4529 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 -0.6859 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 -1.8508 -0.7641 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 -1.4623 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -1.1325 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 -1.7109 1.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2991 0.3579 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7025 0.6248 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1842 0.5481 1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 0.7988 1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3812 1.1255 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7131 1.3771 1.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9011 1.2032 -0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7721 1.5322 -1.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 0.9522 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3994 0.9574 0.8188 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4415 -5.6220 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 -3.7444 2.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 -1.7778 3.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 -3.7884 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9021 -0.2015 -2.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -0.0454 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8907 1.5065 1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3808 3.9592 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 3.5285 -3.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0779 1.7002 -3.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5605 1.4777 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8888 -0.5239 -2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.6993 0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 3.1235 1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 2.5589 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 -2.5572 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5173 -1.5502 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -2.4613 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -1.5686 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3691 -1.8183 1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0519 0.7466 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5523 0.2953 2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 0.7348 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3721 1.6200 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4412 1.5906 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2347 1.0253 -1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 10 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 2 0 33 42 1 0 8 2 1 0 18 11 1 0 28 22 1 0 41 34 1 0 21 6 1 0 42 26 1 0 1 43 1 0 3 44 1 0 5 45 1 0 8 46 1 0 10 47 1 0 12 48 1 0 13 49 1 0 15 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 24 56 1 0 25 57 1 0 29 58 1 0 30 59 1 0 30 60 1 0 31 61 1 0 32 62 1 0 33 63 1 0 35 64 1 0 36 65 1 0 38 66 1 0 40 67 1 0 41 68 1 0 M END