Marvin 10151216542D 46 46 0 0 1 0 999 V2000 21.2163 -50.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9313 -51.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6420 -50.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3527 -51.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0677 -50.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7785 -51.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4892 -50.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2041 -51.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9149 -50.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6257 -51.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3407 -50.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0514 -51.1628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.7620 -50.7512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.4771 -51.1628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.1878 -50.7512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.9028 -51.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9018 -51.9862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.6161 -50.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1878 -49.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4771 -51.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7663 -49.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0514 -51.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6141 -52.3988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.6130 -53.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3274 -51.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0438 -52.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3284 -51.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3253 -53.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3082 -52.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3082 -53.2733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.5651 -51.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5651 -53.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0514 -53.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5651 -54.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8221 -54.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8221 -55.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0789 -54.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4737 -51.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7334 -50.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8161 -53.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.7659 -53.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4803 -53.7024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.7659 -52.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3450 -54.5162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.9821 -55.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5725 -54.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 24 1 0 0 0 0 1 2 1 0 0 0 0 23 25 1 1 0 0 0 12 13 1 0 0 0 0 25 26 1 0 0 0 0 6 7 1 0 0 0 0 25 27 1 0 0 0 0 13 14 1 0 0 0 0 24 28 2 0 0 0 0 3 4 1 0 0 0 0 22 29 1 0 0 0 0 14 15 1 0 0 0 0 29 30 1 0 0 0 0 7 8 1 0 0 0 0 29 31 2 0 0 0 0 15 16 1 0 0 0 0 30 32 1 1 0 0 0 30 33 1 0 0 0 0 16 17 1 0 0 0 0 8 9 1 0 0 0 0 16 18 2 0 0 0 0 32 34 1 0 0 0 0 4 5 1 0 0 0 0 34 35 1 0 0 0 0 15 19 1 1 0 0 0 35 36 2 0 0 0 0 9 10 1 0 0 0 0 35 37 1 0 0 0 0 14 20 1 6 0 0 0 2 3 1 0 0 0 0 13 21 1 6 0 0 0 10 11 1 0 0 0 0 12 22 1 6 0 0 0 5 6 1 0 0 0 0 17 23 1 0 0 0 0 1 38 1 0 0 0 0 12 11 1 0 0 0 0 38 39 1 0 0 0 0 24 40 1 0 0 0 0 33 41 1 0 0 0 0 41 42 1 0 0 0 0 40 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 1 1 0 0 0 44 45 1 6 0 0 0 44 46 1 0 0 0 0 M END > CHEBI:66522 > stevastelin B > A 15-membered cyclodepsipeptide isolated from the culture broth of Penicillium sp. It exhibits significant immunosuppressive effect on T-cell activiation. > 3 > [(3S,9S,12R,13R,14R,15R)-13-hydroxy-6-(1-hydroxyethyl)-12,14-dimethyl-2,5,8,11-tetraoxo-9-(propan-2-yl)-15-tridecyl-1-oxa-4,7,10-triazacyclopentadecan-3-yl]methyl acetate > C34H61N3O9 > 655.86280 > 655.44078 > 0 > CCCCCCCCCCCCC[C@H]1OC(=O)[C@H](COC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)[C@H]1C)C(C)C)[C@@H](C)O > InChI=1S/C34H61N3O9/c1-8-9-10-11-12-13-14-15-16-17-18-19-27-22(4)30(40)23(5)31(41)36-28(21(2)3)32(42)37-29(24(6)38)33(43)35-26(34(44)46-27)20-45-25(7)39/h21-24,26-30,38,40H,8-20H2,1-7H3,(H,35,43)(H,36,41)(H,37,42)/t22-,23+,24+,26-,27+,28-,29-,30+/m0/s1 > UTYDHKYGSNIIDV-RFYOCORYSA-N > 7631162 > 12109115; 16277304; 8002401; 8698640; 8698641; 9195865 $$$$