Marvin 01191010102D 61 69 0 0 0 0 999 V2000 -2.0172 -1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1354 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 -0.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 -0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7432 -1.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 -1.2712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4096 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -0.1103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 -1.3419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3162 -3.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 -2.1139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0878 -2.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -0.9251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8488 -1.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -2.1693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2172 -2.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -3.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2172 -3.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -3.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 -2.5573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3620 -3.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -3.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7745 -3.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 -2.4027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -3.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1941 -0.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1602 1.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8772 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4557 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7164 -0.2064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 1.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4507 1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 1.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8974 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 1.8741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6856 2.5141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4581 2.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 3.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0253 3.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2323 -1.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 -1.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 4.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3944 0.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6799 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9655 0.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 1.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 30 1 0 0 0 0 14 30 1 0 0 0 0 14 8 1 0 0 0 0 14 25 1 0 0 0 0 25 20 1 0 0 0 0 20 12 1 0 0 0 0 51 1 2 0 0 0 0 56 51 1 0 0 0 0 2 56 2 0 0 0 0 1 3 1 0 0 0 0 3 7 2 0 0 0 0 2 7 1 0 0 0 0 16 12 1 0 0 0 0 12 5 1 0 0 0 0 4 10 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 8 7 1 0 0 0 0 16 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 11 9 1 0 0 0 0 8 9 1 1 0 0 0 25 13 1 1 0 0 0 12 18 1 6 0 0 0 14 15 1 1 0 0 0 16 17 1 6 0 0 0 18 19 1 0 0 0 0 20 21 1 1 0 0 0 21 23 1 0 0 0 0 23 22 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 27 1 0 0 0 0 30 31 1 0 0 0 0 40 32 1 0 0 0 0 42 32 2 0 0 0 0 32 57 1 0 0 0 0 45 33 1 0 0 0 0 33 36 2 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 45 2 0 0 0 0 36 40 1 0 0 0 0 36 39 1 0 0 0 0 37 47 1 0 0 0 0 37 49 1 0 0 0 0 46 38 1 0 0 0 0 38 49 1 0 0 0 0 39 42 1 0 0 0 0 46 41 1 6 0 0 0 47 41 1 0 0 0 0 43 42 1 0 0 0 0 48 43 1 0 0 0 0 57 44 1 0 0 0 0 44 46 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 1 0 0 0 49 54 1 6 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 57 56 1 0 0 0 0 57 58 1 1 0 0 0 58 60 1 0 0 0 0 58 61 2 0 0 0 0 60 59 1 0 0 0 0 M END > CHEBI:27375 > vincaleukoblastine > 3 > CHEBI:46447; CHEBI:27287; CHEBI:9983 > VLB; (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE; (+)-vinblastine > vincaleukoblastine > vinblastinum; vinblastine; vinblastine; vinblastina > C46H58N4O9 > 810.97410 > 810.42038 > 0 > [H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC > InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 > JXLYSJRDGCGARV-XQKSVPLYSA-N > 4779207 > 865-21-4 > 865-21-4 > DB00570 > C07201 > D08675 > C00001781 > VLB > Vinblastine > 11878966; 15917812; 20394103; 22868758; 25586069; 26660762; 27518442; 35404502 $$$$