LMPK06000003 LIPID_MAPS_STRUCTURE_DATABASE 68 71 0 0 0 999 V2000 8.8362 15.8136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6922 16.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8279 14.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 16.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5523 15.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6922 17.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 14.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6838 14.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 17.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4167 16.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5565 15.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8362 17.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9512 13.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 14.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2809 15.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8154 12.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 12.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9471 12.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1453 16.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2809 14.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8072 11.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9747 11.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 13.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0094 15.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1410 17.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1453 14.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6591 11.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9346 11.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8695 16.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1453 13.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0094 14.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6547 10.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7338 15.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8613 17.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0094 12.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2768 12.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5150 9.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7863 9.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5981 16.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7254 17.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0094 11.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5066 8.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3751 10.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 8.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5939 17.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4583 15.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8695 11.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1410 11.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 8.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4583 17.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3225 16.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8695 10.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7296 11.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3626 7.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7296 9.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 9.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2186 6.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7296 8.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5939 10.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9970 8.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0827 7.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8695 8.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5939 8.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0843 7.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3376 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 15.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1453 15.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8653 15.4024 0.0000 H 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 1 0 0 0 0 2 5 1 1 0 0 0 2 6 1 0 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 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 2 0 0 0 0 10 15 1 0 0 0 0 13 16 1 6 0 0 0 13 17 1 0 0 0 0 13 18 1 1 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 21 16 1 6 0 0 0 17 22 1 0 0 0 0 17 23 1 1 0 0 0 19 24 1 0 0 0 0 19 25 1 6 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 24 29 1 0 0 0 0 26 30 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 1 0 0 0 32 37 1 0 0 0 0 32 38 1 1 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 2 0 0 0 0 37 42 2 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 39 46 1 6 0 0 0 41 47 1 0 0 0 0 41 48 1 0 0 0 0 42 49 1 0 0 0 0 45 50 1 1 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 47 53 1 1 0 0 0 49 54 2 0 0 0 0 52 55 1 0 0 0 0 52 56 1 6 0 0 0 54 57 1 0 0 0 0 55 58 1 0 0 0 0 55 59 2 0 0 0 0 56 60 1 0 0 0 0 57 61 2 0 0 0 0 58 62 1 0 0 0 0 58 63 1 6 0 0 0 61 64 1 0 0 0 0 64 65 1 6 0 0 0 9 12 1 0 0 0 0 22 28 1 0 0 0 0 40 45 1 0 0 0 0 62 64 1 0 0 0 0 2 66 1 6 0 0 0 15 67 1 1 0 0 0 29 68 1 1 0 0 0 M END > LMPK06000003 > Sirolimus > > C51H79NO13 > 913.56 > Polyketides [PK] > Polyenes [PK06] > > - > (-)-Rapamycin > QFJCIRLUMZQUOT-HPLJOQBZSA-N > InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 > N12CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@@H](OC)C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C2=O)[C@H](C)C[C@]1([H])CC[C@@H](O)[C@H](OC)C1 > C07909 > HMDB0015015 > 9168 > - > - > - > 5284616 > - > - > - > - > - > 1912 > - $$$$