HMDB0303612 RDKit 3D Cirsilineol 41 43 0 0 0 0 0 0 0 0999 V2000 5.7415 -1.8682 0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -0.7004 -0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -0.0055 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4541 -0.4747 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 0.2043 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9916 -0.2469 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 -1.3703 0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -1.7102 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6543 -2.7355 1.7537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 -0.9449 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 -1.2506 0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 -2.3331 1.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 -0.4113 0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1829 -0.7116 0.7348 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7535 -0.1593 1.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 0.6986 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6638 1.5095 -0.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3341 2.6371 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3166 0.9891 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 0.1653 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 0.4623 -0.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 1.3426 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 1.7846 -1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8681 1.1194 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1389 1.5595 -1.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 -1.7275 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 -2.1268 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3337 -2.7097 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -1.3848 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 -1.9723 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -3.0541 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0489 -0.1770 2.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 0.8866 1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 -0.7387 2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2298 3.2556 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9182 2.3570 -2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 3.2513 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 1.8485 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 1.8808 -1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 2.6714 -2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2898 2.3662 -2.2176 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 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 13 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 5 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 3 1 0 21 6 1 0 20 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 7 30 1 0 12 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 18 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 22 39 1 0 23 40 1 0 25 41 1 0 M END