Mrv0541 10281311432D 41 46 0 0 0 0 999 V2000 0.7441 -2.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 -1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4179 -3.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 -2.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 -3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0053 -3.6335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 -1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 -1.8526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8027 -1.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9000 -2.6443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 -2.3645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6469 -2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2227 -0.9237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0448 -0.9237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0266 -2.3646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4468 -1.6441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3662 -3.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8240 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9788 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2324 -2.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0383 -2.4579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8328 -2.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4126 -2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1515 -3.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 -4.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -4.4134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9201 -5.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7582 -3.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8475 -3.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8383 -3.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4451 -3.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2194 -1.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5537 -4.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8095 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4649 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0256 -0.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2429 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 15 13 1 0 0 0 0 15 14 1 0 0 0 0 11 10 1 1 0 0 0 15 16 2 0 0 0 0 17 12 1 0 0 0 0 14 12 1 0 0 0 0 19 14 1 0 0 0 0 20 19 1 0 0 0 0 20 18 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 21 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 12 36 1 1 0 0 0 14 34 1 1 0 0 0 19 24 1 6 0 0 0 29 37 2 0 0 0 0 21 27 2 0 0 0 0 29 21 1 0 0 0 0 32 33 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 6 0 0 0 18 39 1 6 0 0 0 18 40 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 6 0 0 0 M END > CHEBI:68732 > chaetoglobosin F > A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine. > 3 > (1E,4S,5E,8S,11aR,14S,14aR,15S,15aR,16aS,16bR)-8-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-7,11,12(4H,8H,13H)-trione > C32H38N2O5 > 530.65450 > 530.27807 > 0 > C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)\C=C(C)\C(=O)[C@@H](O)CCC2=O)[C@@H]2O[C@]12C > InChI=1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7+,18-14+/t17-,19-,22-,24-,25-,27-,29-,31+,32+/m0/s1 > KTFGDHPTDQFFRL-USMZZGTESA-N > 55945-75-0 > 5787886 > 55945-75-0 > 16499339; 7116505 $$$$