HMDB0060883 RDKit 3D 7-Hydroxy-R-acenocoumarol 42 44 0 0 0 0 0 0 0 0999 V2000 -2.2569 -3.9120 1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 -2.8752 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -2.8123 -0.3518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6489 -1.9633 1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -1.0536 -0.1506 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6373 -0.2782 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 0.3433 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 1.0472 -1.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 1.1730 -0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 1.9073 -1.1957 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.0481 1.9663 -0.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 2.5212 -2.3846 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7761 0.5438 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 -0.1746 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.1009 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -0.2829 -0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0631 -1.3358 -1.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 0.5775 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 0.4449 -0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2019 1.3296 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0004 2.3562 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0301 3.2500 0.3976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 2.5068 0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 1.6283 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6099 1.7684 1.1695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 0.9587 0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4717 1.1669 1.6088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7266 -3.7896 2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3434 -3.8026 1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -4.9263 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 -2.5480 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -1.4435 1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 -1.6187 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0645 0.2695 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 1.5443 -2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5591 0.6280 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 -0.6235 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -1.5549 -1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.3437 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1429 1.2019 -1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 3.0122 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6097 3.2946 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 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 2 0 10 12 1 0 9 13 1 0 13 14 2 0 5 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 14 6 1 0 26 15 1 0 24 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 4 32 1 0 5 33 1 6 7 34 1 0 8 35 1 0 13 36 1 0 14 37 1 0 17 38 1 0 19 39 1 0 20 40 1 0 22 41 1 0 23 42 1 0 M CHG 2 10 1 12 -1 M END