HMDB0060882 RDKit 3D 6-Hydroxy-R-acenocoumarol 42 44 0 0 0 0 0 0 0 0999 V2000 -0.1611 3.3367 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 3.0197 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 3.6449 -1.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 1.9622 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9988 0.6757 -0.7231 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0667 -0.3550 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2968 -0.2364 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2707 -1.2329 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 -2.3950 -0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0189 -3.4361 -1.0119 N 0 0 0 0 0 4 0 0 0 0 0 0 6.1324 -3.3336 -0.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7705 -4.5998 -1.7076 O 0 0 0 0 0 1 0 0 0 0 0 0 2.8031 -2.5375 -1.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 -1.5499 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 0.1968 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 0.4440 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 1.1074 -1.6992 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5617 0.0022 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 0.2272 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9666 -0.2064 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2361 0.0349 -0.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7709 -0.8690 1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5063 -1.0910 2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 -0.6635 1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 -0.8676 1.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -0.4645 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0806 -0.6687 1.6821 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1526 3.8022 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 4.1220 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2284 2.4866 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8789 1.6700 0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 2.2420 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7057 0.8923 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5025 0.6814 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 -1.1009 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 -3.4610 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -1.6752 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3602 1.3463 -2.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9789 0.7428 -1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7082 0.9131 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6693 -1.1965 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -1.6098 3.0012 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 1 0 20 22 2 0 22 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 21 40 1 0 22 41 1 0 23 42 1 0 M CHG 2 10 1 12 -1 M END