70267759 -OEChem-04262415272D 61 64 0 1 0 0 0 0 0999 V2000 10.0622 0.3269 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1848 1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 2.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -0.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4705 1.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6539 -0.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.1559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.1559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.6559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.1559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.1489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 0.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -1.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 -0.1559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0511 0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7023 1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -1.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6337 0.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 1.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 0.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.6166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 -0.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.8740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0832 1.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 2.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8106 3.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4772 0.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0872 1.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 14 2 1 1 0 0 0 17 3 1 1 0 0 0 3 53 1 0 0 0 0 4 26 2 0 0 0 0 5 30 1 0 0 0 0 5 59 1 0 0 0 0 6 29 2 0 0 0 0 7 60 1 0 0 0 0 8 61 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 1 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 31 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 32 1 1 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 6 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 1 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 28 2 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 M END > 70267759 > 1 > 848 > 8 > 4 > 4 > AAADceB4PAIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAACAFAAEgAEBIAAQAAQAAFgAAIAQPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17S)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] dihydrogen phosphate > InChI=1S/C21H31O8P/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(17(25)11-22,29-30(26,27)28)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21+/m0/s1 > CGSBWABBSHTGFZ-CZFMHFDVSA-N > 0 > 442.17565494 > C21H31O8P > 442.4 > CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)OP(=O)(O)O)C)O > C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)OP(=O)(O)O)C)O > 141 > 442.17565494 > 0 > 30 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 21 5 11 31 6 12 32 5 13 33 6 16 25 5 14 2 5 17 3 5 $$$$