CDK 9/10/12,15:49 58 60 0 0 0 0 0 0 0 0999 V2000 16.8611 -10.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8599 -11.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5747 -11.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2912 -11.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2883 -10.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5729 -9.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1465 -9.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4321 -10.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4323 -11.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1469 -11.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7174 -9.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0028 -8.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0026 -7.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7170 -7.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2884 -9.0300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4305 -7.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1444 -7.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1446 -6.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4251 -6.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7141 -6.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8585 -6.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5736 -6.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2874 -6.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0025 -6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7164 -6.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0038 -7.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5738 -8.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8595 -9.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5736 -7.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1449 -8.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1447 -7.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8597 -9.8553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1453 -10.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1455 -11.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4307 -9.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4311 -11.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8601 -11.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8603 -12.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5748 -12.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1459 -12.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2892 -12.3300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0038 -12.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7181 -12.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4327 -12.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7180 -11.5046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0040 -13.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7166 -11.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7190 -10.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 -9.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2899 -10.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2928 -11.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0071 -11.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5748 -9.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 -10.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7176 -9.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4317 -8.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1463 -9.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7151 -5.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 27 29 2 0 0 0 0 1 7 1 0 0 0 0 28 30 1 6 0 0 0 12 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 28 32 1 0 0 0 0 14 16 2 0 0 0 0 32 33 1 0 0 0 0 8 7 1 1 0 0 0 33 34 1 0 0 0 0 16 17 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 6 0 0 0 17 18 2 0 0 0 0 34 37 1 0 0 0 0 8 9 1 0 0 0 0 37 38 1 0 0 0 0 18 19 1 0 0 0 0 38 39 1 0 0 0 0 9 45 1 0 0 0 0 38 40 2 0 0 0 0 19 20 2 0 0 0 0 39 41 1 0 0 0 0 20 14 1 0 0 0 0 41 42 1 0 0 0 0 4 5 1 0 0 0 0 42 43 1 0 0 0 0 18 21 1 0 0 0 0 43 44 1 1 0 0 0 9 10 2 0 0 0 0 43 45 1 0 0 0 0 21 22 1 0 0 0 0 42 46 2 0 0 0 0 2 3 1 0 0 0 0 36 47 1 0 0 0 0 22 23 1 0 0 0 0 47 48 2 0 0 0 0 5 6 2 0 0 0 0 48 49 1 0 0 0 0 23 24 2 0 0 0 0 49 50 2 0 0 0 0 11 12 1 0 0 0 0 50 51 1 0 0 0 0 24 25 1 0 0 0 0 51 52 2 0 0 0 0 52 47 1 0 0 0 0 6 1 1 0 0 0 0 50 53 1 0 0 0 0 24 26 1 0 0 0 0 8 54 1 0 0 0 0 12 13 1 6 0 0 0 11 55 2 0 0 0 0 15 27 1 0 0 0 0 11 56 1 0 0 0 0 1 2 2 0 0 0 0 56 57 1 0 0 0 0 27 28 1 0 0 0 0 25 58 1 0 0 0 0 M END > CHEBI:67962 > Conoideocrellide D > A natural product found in Conoideocrella tenuis. > 2 > C41H51N5O12 > 805.86990 > 805.35342 > 0 > COC(=O)[C@@H](Cc1ccc(OC\C=C(/C)CO)cc1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc1ccccc1 > InChI=1S/C41H51N5O12/c1-25(23-47)17-18-58-31-15-11-29(12-16-31)20-33(41(56)57-3)45-39(54)34(24-48)46-38(53)32(19-28-9-13-30(49)14-10-28)44-36(51)22-42-37(52)26(2)43-40(55)35(50)21-27-7-5-4-6-8-27/h4-17,26,32-35,47-50H,18-24H2,1-3H3,(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,46,53)/b25-17+/t26-,32+,33+,34+,35-/m0/s1 > WVTCLNOGGTVDPI-AHWJTRECSA-N > 21473608 $$$$