HMDB0002186 RDKit 3D Hypogeic acid 48 47 0 0 0 0 0 0 0 0999 V2000 -6.5379 1.1337 -1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2669 0.7473 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4819 -0.2843 -1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2242 -0.6567 -0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4992 -1.2268 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 -1.6078 1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 -0.4182 1.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0585 -0.7907 2.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6611 -1.7795 1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 -1.5759 1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 -0.3551 1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 0.3300 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 -0.5744 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1427 0.1502 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8902 1.4272 -1.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 1.2709 -1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6894 0.1975 -0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9403 2.4274 -0.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9199 2.0651 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 1.3218 -2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3308 0.3699 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 1.6859 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6035 0.3446 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1338 -1.1592 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2085 0.1464 -2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 -1.3698 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 0.2548 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0549 -0.5293 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 -2.1217 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 -2.4509 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.0188 2.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -0.1158 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 0.4284 2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 -1.2438 3.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4231 0.1596 2.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -2.7535 1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 -2.3694 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6324 -0.6310 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.4174 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 0.6563 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5967 1.2062 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 -0.8742 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2913 -1.5074 -1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 0.4051 -2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6943 -0.5524 -2.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0921 1.8415 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 2.1463 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2809 2.5705 -0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 18 48 1 0 M END