Marvin 07231214102D 41 42 0 0 1 0 999 V2000 10.7162 -4.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0024 -4.5814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4300 -4.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7162 -3.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0024 -5.4057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2728 -4.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 -4.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 -5.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 -2.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7162 -5.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2759 -5.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 -4.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 -3.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8574 -4.5814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 -2.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9531 -6.7259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5712 -4.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 -6.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4635 -7.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2850 -4.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5712 -3.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8574 -7.0543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1436 -5.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 -8.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9988 -4.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 -5.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5712 -6.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8574 -7.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9364 -5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7126 -4.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2850 -7.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7126 -5.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9988 -6.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2850 -7.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9988 -5.8163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7251 -7.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1902 -5.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7062 -7.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7007 -6.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9893 -8.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4105 -8.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 6 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 9 15 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 6 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 6 0 0 0 23 29 1 0 0 0 0 25 30 1 0 0 0 0 27 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 1 0 0 0 33 35 1 0 0 0 0 35 37 1 1 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 2 0 0 0 0 M END > CHEBI:5674 > herbimycin > A 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It is an ansamycin antibiotic that induces apoptosis and displays antitumour effects. > 3 > Herbimycin A; Antibiotic Tan 420F > (4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate > C30H42N2O9 > 574.66250 > 574.28903 > 0 > CO[C@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)C2=O > InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1 > MCAHMSDENAOJFZ-BVXDHVRPSA-N > 70563-58-5 > 4834067 > 70563-58-5 > C11225 > Herbimycin > 21198874; 21488197; 21505853; 21543765; 21743149; 22420214; 22526207 $$$$