13769 -OEChem-10051719253D 46 49 0 1 0 0 0 0 0999 V2000 -3.6667 0.8997 0.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -0.1009 1.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 -0.3535 1.5395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 -0.6237 -0.5424 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5412 0.5399 -0.0327 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7834 -0.5319 0.0990 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4643 0.8223 -0.1636 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0092 0.4615 -0.6008 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1503 1.9009 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 1.9498 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 -1.9900 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 -1.6690 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 -0.9473 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 -2.0832 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 1.0821 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 0.7443 -2.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 1.5156 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1869 -1.4030 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4855 -0.1644 0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 -1.2030 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 1.2684 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4838 -0.1145 0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -0.5311 -1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6178 0.4218 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -0.6286 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 2.1163 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4314 2.7125 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 1.8936 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 2.9271 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3105 -2.7963 -0.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3164 -2.1734 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4158 -2.5954 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6311 -1.8722 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 -2.0621 -1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 -3.0557 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6063 0.3685 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 2.0688 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 1.0461 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 0.5693 -2.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 0.1110 -2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8153 1.7850 -2.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6084 2.5590 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 -2.2621 0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 -1.3400 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 -2.2167 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 2.0718 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 19 2 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 M END > DB00894 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPEWUONYVDABNZ-DZBHQSCQSA-N/SDF?record_type=3d > [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H] > InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1 > BPEWUONYVDABNZ-DZBHQSCQSA-N > C19H24O3 > 300.3921 > 300.172544634 > 2 > 46 > -4.222333952233541e-12 > 33.415636812061166 > 1 > 0 > 0 > 1 > (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-2H,3H,4H,4aH,4bH,5H,6H,8H,10aH,10bH,11H,12H,12aH-phenanthro[2,1-b]pyran-2,8-dione > 2.33 > 3.2313274366666658 > -4.12 > 0 > 0 > 4 > 0 > 18.37444742051099 > -4.998336720346294 > 43.370000000000005 > 85.79099999999998 > 0 > 1 > 2.30e-02 g/l > tetrahydrofolic acid > 0 $$$$