11975375 -OEChem-04262406512D 58 63 0 1 0 0 0 0 0999 V2000 5.1216 1.5569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9688 2.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4301 -0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 1.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5186 1.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -1.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5506 -2.3377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 0.2605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7011 0.7605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7011 1.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6110 0.2536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8350 2.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8190 -0.7811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9690 1.7604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7216 0.8640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9690 0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5379 0.8177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6191 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4858 0.2897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7170 -1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4941 -0.7952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5545 -1.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4372 -2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0639 -2.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4372 1.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 2.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3536 -0.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 2.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -1.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 1.7605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2645 1.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9945 1.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7895 0.8303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 -1.9288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8061 -1.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 -0.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8967 -2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7409 -2.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 -1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9978 -0.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 0.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0495 2.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 -3.3808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 -2.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -0.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2216 -1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0455 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 1.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 0.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 1 0 0 0 14 2 1 1 0 0 0 19 3 1 6 0 0 0 22 3 1 6 0 0 0 4 16 2 0 0 0 0 17 5 1 1 0 0 0 5 49 1 0 0 0 0 6 21 1 0 0 0 0 6 28 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 6 0 0 0 10 12 1 0 0 0 0 10 32 1 6 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 33 1 1 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 35 1 1 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 24 1 1 0 0 0 15 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 24 27 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 M END > 11975375 > 1 > 915 > 7 > 1 > 3 > AAADceB4OAAAAAAAAAAAAAAAEiQAASAAAAAwYIAABIkAAECAAAAAGgAACAAAD1SggAICAAAABgCIAqBSAAIAAAAgAAAACAFAAEgBFBYAIQQCUAAF4AALIYPK7PzPgAAAAAAAAABAAAIQADCAAAAAAAAAAA== > (1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-9-hydroxy-2-(1-methoxy-1-methyl-ethyl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione > (1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione > (1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione > (1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione > (1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-enyl)-9-oxidanyl-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione > (1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-9-hydroxy-2-(1-methoxy-1-methyl-ethyl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-quinone > InChI=1S/C23H28O7/c1-8(2)6-11-23-10(22(3,4)27-5)7-9-12(15(25)18-17(29-18)14(9)24)13(23)16(28-11)19-20(30-19)21(23)26/h6-7,10-13,15-20,25H,1-5H3/t10-,11-,12-,13-,15-,16-,17-,18+,19+,20+,23+/m1/s1 > PFZFRWWDGXFULQ-NHFKQXEKSA-N > 0.5 > 416.18350323 > C23H28O7 > 416.5 > CC(=CC1C23C(C=C4C(C2C(O1)C5C(C3=O)O5)C(C6C(C4=O)O6)O)C(C)(C)OC)C > CC(=C[C@@H]1[C@@]23[C@H](C=C4[C@H]([C@@H]2[C@@H](O1)[C@H]5[C@@H](C3=O)O5)[C@H]([C@H]6[C@@H](C4=O)O6)O)C(C)(C)OC)C > 97.9 > 416.18350323 > 0 > 30 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 32 6 11 33 5 13 35 5 15 24 5 12 2 5 14 2 5 19 3 6 22 3 6 17 5 5 8 16 5 9 31 6 $$$$