HMDB0060519 RDKit 3D trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene 40 43 0 0 0 0 0 0 0 0999 V2000 0.9309 2.5977 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 1.1549 -0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 0.4146 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 -0.9835 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -1.6280 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -3.0858 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -0.9188 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 -1.5114 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 -0.7909 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5516 0.5745 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 1.2200 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 0.4584 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 -1.8216 0.0594 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2564 -2.6816 -1.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -1.1832 -0.0448 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6197 -1.7532 0.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 0.2765 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9015 0.8323 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0091 2.1878 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 2.9857 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6276 2.4320 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5345 1.0808 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2119 2.9402 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 2.6897 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 3.2770 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 -3.4276 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4028 -3.4929 -1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -3.6026 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -2.5962 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5424 -1.3561 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 1.1498 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 2.2879 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 -2.5264 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -2.0915 -1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1613 -1.3287 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -1.8179 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8009 0.2371 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9831 2.6259 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 4.0678 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 3.1072 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 4 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 2 1 0 22 17 1 0 22 3 1 0 12 7 1 0 1 23 1 0 1 24 1 0 1 25 1 0 6 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 13 33 1 1 14 34 1 0 15 35 1 6 16 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 M END