HMDB0032696 RDKit 3D Cajanin 34 36 0 0 0 0 0 0 0 0999 V2000 5.9107 -1.2565 -1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 -0.0770 -0.9297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 0.0810 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 1.3309 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1228 1.6225 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 2.8726 0.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 0.5827 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1241 0.7506 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 1.8675 0.4515 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9567 -0.3690 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -0.2018 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -0.1755 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6475 -0.0145 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1091 0.1234 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4783 0.2790 1.0505 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 0.0966 1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8309 -0.0652 1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 -0.0931 2.6511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4652 -1.6051 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 -1.7334 -0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 -0.6784 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 -0.9172 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5681 -1.0142 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2412 -2.0839 -1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6181 -1.6283 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1622 2.1671 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 3.4122 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 -0.2865 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3592 0.0036 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8864 1.2056 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 0.2022 2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 0.0067 3.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 -2.4868 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -1.9178 -0.9671 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 5 7 2 0 7 8 1 0 8 9 2 0 8 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 2 0 17 18 1 0 10 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 3 1 0 21 7 1 0 17 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 12 28 1 0 13 29 1 0 15 30 1 0 16 31 1 0 18 32 1 0 19 33 1 0 22 34 1 0 M END