154656 -OEChem-10101305022D 44 48 0 1 0 0 0 0 0999 V2000 2.5405 -1.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 -3.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1236 4.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 -1.6608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1767 -1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -2.7024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1767 0.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 -2.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 -3.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 -0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 1.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 3.0003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1274 3.5428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9527 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 1.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 -3.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 -4.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 -4.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 -4.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7737 0.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5797 -1.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6022 2.6872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 3.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 0.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 1.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6515 3.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6756 -2.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 -4.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 -3.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7019 -4.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 -5.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 4.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5854 4.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 39 1 0 0 0 0 8 2 1 6 0 0 0 2 40 1 0 0 0 0 17 3 1 1 0 0 0 3 43 1 0 0 0 0 18 4 1 6 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 23 2 0 0 0 0 11 24 2 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > 154656 > 1 > 562 > 4 > 4 > 0 > AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAADBVAAAGgAACAAADBSgmAIwAMAAAgCAAiBCAAACAAAgAAAIiAAACIgJNiKAERCAcAAkwAEJmAeAwPAOwAACAAAQAADAAAYAADCAAAAAAAAAAA== > (3S,4S,12S,13S)-3,4,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,4,12,13-tetrol > (3S,4S,12S,13S)-3,4,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,4,12,13-tetrol > (3S,4S,12S,13S)-3,4,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,4,12,13-tetrol > (3S,4S,12S,13S)-3,4,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,4,12,13-tetrol > (3S,4S,12S,13S)-3,4,12,13-tetrahydronaphtho[1,2-b]phenanthrene-3,4,12,13-tetrol > InChI=1S/C22H18O4/c23-19-8-7-13-15(20(19)24)6-5-11-9-17-12-3-1-2-4-14(12)21(25)22(26)18(17)10-16(11)13/h1-10,19-26H/t19-,20-,21-,22-/m0/s1 > YQINXCSNGCDFCQ-CMOCDZPBSA-N > 1.7 > 346.120509 > C22H18O4 > 346.37592 > C1=CC=C2C(=C1)C(C(C3=C2C=C4C=CC5=C(C4=C3)C=CC(C5O)O)O)O > C1=CC=C2C(=C1)[C@@H]([C@H](C3=C2C=C4C=CC5=C(C4=C3)C=C[C@@H]([C@H]5O)O)O)O > 80.9 > 346.120509 > 0 > 26 > 4 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 6 1 5 10 11 8 10 23 8 11 24 8 12 15 8 13 16 8 13 19 8 15 20 8 19 20 8 8 2 6 23 25 8 24 26 8 25 26 8 17 3 5 18 4 6 5 14 8 5 7 8 7 16 8 9 12 8 9 13 8 9 14 8 $$$$