LMPK14000004 LIPID_MAPS_STRUCTURE_DATABASE 101110 0 0 0 999 V2000 15.3393 14.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1787 14.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4995 14.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3445 13.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1734 15.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0129 14.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4942 15.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6547 14.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5533 12.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3285 16.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8579 14.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8097 14.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5533 11.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7085 12.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3015 17.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8579 15.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6975 14.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9702 14.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8043 15.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6728 9.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7192 10.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 12.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1356 17.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4674 17.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6975 16.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0129 16.3226 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.5317 14.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1304 14.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9647 13.4056 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9594 16.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4995 8.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8689 11.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7138 9.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0186 12.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9806 17.2966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1303 18.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6276 17.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5317 15.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1251 15.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4995 7.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6600 8.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0239 10.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0497 12.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8148 17.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7881 17.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6224 16.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3659 16.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2801 16.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6600 7.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8205 8.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8202 18.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6543 17.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9486 17.2859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6276 18.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3604 17.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2054 15.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2748 17.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4352 15.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8205 7.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3382 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9657 6.3606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9754 8.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6598 19.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9753 19.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4939 17.7919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3593 16.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1144 17.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6224 19.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2002 17.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4298 17.7649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9754 7.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6598 20.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9753 20.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1089 18.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7773 19.7187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4620 19.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1947 18.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0397 17.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5902 17.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5046 20.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8148 20.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3496 19.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7506 17.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5849 16.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3444 20.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4993 21.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8094 21.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9751 20.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7453 18.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9056 17.2913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1839 20.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3336 22.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6543 22.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9438 20.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9697 21.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5794 19.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 17.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1786 21.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7581 19.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5741 20.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0126 22.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 9 4 1 1 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 6 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 1 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 31 20 1 1 0 0 0 21 32 1 0 0 0 0 21 33 1 1 0 0 0 22 34 1 1 0 0 0 23 35 1 0 0 0 0 23 36 2 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 28 39 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 32 42 1 6 0 0 0 34 43 1 0 0 0 0 35 44 1 0 0 0 0 37 45 1 0 0 0 0 37 46 2 0 0 0 0 38 47 1 0 0 0 0 39 48 1 0 0 0 0 40 49 1 0 0 0 0 41 50 1 0 0 0 0 44 51 1 0 0 0 0 44 52 1 6 0 0 0 45 53 1 0 0 0 0 45 54 1 1 0 0 0 47 55 1 0 0 0 0 47 56 1 6 0 0 0 48 57 1 0 0 0 0 48 58 1 1 0 0 0 49 59 1 0 0 0 0 49 60 1 1 0 0 0 49 61 1 6 0 0 0 50 62 1 6 0 0 0 51 63 1 0 0 0 0 51 64 2 0 0 0 0 52 65 1 0 0 0 0 52 66 2 0 0 0 0 53 67 1 0 0 0 0 54 68 1 0 0 0 0 55 69 1 0 0 0 0 57 70 1 1 0 0 0 59 71 1 6 0 0 0 63 72 2 0 0 0 0 64 73 1 0 0 0 0 67 74 2 0 0 0 0 68 75 1 0 0 0 0 68 76 2 0 0 0 0 69 77 1 0 0 0 0 69 78 2 0 0 0 0 70 79 1 0 0 0 0 72 80 1 0 0 0 0 72 81 1 0 0 0 0 77 82 1 0 0 0 0 79 83 1 0 0 0 0 79 84 2 0 0 0 0 80 85 2 0 0 0 0 80 86 1 0 0 0 0 81 87 1 0 0 0 0 82 88 1 1 0 0 0 83 89 1 0 0 0 0 83 90 1 6 0 0 0 85 91 1 0 0 0 0 86 92 2 0 0 0 0 86 93 1 0 0 0 0 88 94 1 0 0 0 0 88 95 2 0 0 0 0 89 96 1 0 0 0 0 90 97 1 0 0 0 0 91 98 2 0 0 0 0 96 99 1 0 0 0 0 96100 1 0 0 0 0 98101 1 0 0 0 0 7 10 2 0 0 0 0 22 32 1 0 0 0 0 27 38 2 0 0 0 0 30 39 2 0 0 0 0 50 59 1 0 0 0 0 55 65 1 6 0 0 0 57 67 1 6 0 0 0 73 81 2 0 0 0 0 82 85 1 0 0 0 0 92 98 1 0 0 0 0 M END > LMPK14000004 > Vancomycin > > C66H75Cl2N9O24 > 1447.43 > Polyketides [PK] > Non-ribosomal peptide/polyketide hybrids [PK14] > > - > > MYPYJXKWCTUITO-UTHKAUQRSA-N > InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48+,49?,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1 > > C06689 > - > - > - > - > - > 441141 > - > - > - > - > - > 31958 > - $$$$