LMFA01031016 LIPID_MAPS_STRUCTURE_DATABASE 78 77 0 0 0 0 999 V2000 -1.4719 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3819 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8098 -8.8757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5238 -9.2890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2378 -8.8757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9517 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6657 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3797 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0937 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8077 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5216 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2356 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9496 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6636 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3775 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0915 -9.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8055 -8.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5195 -9.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8098 -8.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 -10.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2378 -8.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9517 -10.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0915 -10.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8055 -8.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 -10.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 -10.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 -10.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1854 -11.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 -10.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9008 -11.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 -11.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -12.5959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7515 -13.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 -13.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 -13.8351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0340 -14.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -14.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -15.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 -15.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -16.3136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4009 -16.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -16.3120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8287 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5427 -16.3120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2567 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9706 -16.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6846 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 -16.3120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1126 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 -16.3120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5405 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2545 -16.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6825 -16.3120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3964 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 -16.3120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8244 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5384 -16.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2523 -16.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 -16.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1143 -15.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5427 -15.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 -15.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 -15.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6825 -15.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 -15.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9687 -16.3128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19 20 1 0 0 0 0 37 40 1 0 0 0 0 2 3 2 0 0 0 0 39 41 2 0 0 0 0 20 21 1 0 0 0 0 39 42 1 0 0 0 0 10 11 2 0 0 0 0 42 43 1 0 0 0 0 21 22 1 0 0 0 0 43 44 1 0 0 0 0 5 6 1 0 0 0 0 43 45 1 1 0 0 0 22 23 2 0 0 0 0 44 46 1 0 0 0 0 11 12 1 0 0 0 0 46 47 1 0 0 0 0 23 24 1 0 0 0 0 46 48 1 1 0 0 0 1 2 1 0 0 0 0 47 49 2 0 0 0 0 24 25 2 0 0 0 0 49 50 1 0 0 0 0 12 13 2 0 0 0 0 50 51 1 0 0 0 0 25 26 1 0 0 0 0 51 52 1 0 0 0 0 6 7 2 0 0 0 0 52 53 1 0 0 0 0 26 27 2 0 0 0 0 53 54 1 0 0 0 0 13 14 1 0 0 0 0 54 55 1 0 0 0 0 27 28 1 0 0 0 0 55 56 1 0 0 0 0 3 4 1 0 0 0 0 56 57 2 0 0 0 0 28 29 1 0 0 0 0 57 58 1 0 0 0 0 14 15 1 0 0 0 0 58 59 1 0 0 0 0 14 30 1 1 0 0 0 59 60 1 0 0 0 0 7 8 1 0 0 0 0 60 61 1 0 0 0 0 15 31 1 1 0 0 0 61 62 1 0 0 0 0 15 16 1 0 0 0 0 62 63 2 0 0 0 0 16 32 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 17 33 1 0 0 0 0 65 66 1 0 0 0 0 16 17 1 0 0 0 0 66 67 1 0 0 0 0 27 34 1 0 0 0 0 67 68 1 0 0 0 0 8 9 2 0 0 0 0 68 69 1 0 0 0 0 28 35 2 0 0 0 0 69 70 1 0 0 0 0 17 18 1 0 0 0 0 51 71 1 1 0 0 0 1 36 1 0 0 0 0 53 72 1 1 0 0 0 4 5 2 0 0 0 0 55 73 1 6 0 0 0 36 37 1 0 0 0 0 59 74 1 1 0 0 0 18 19 2 0 0 0 0 61 75 1 6 0 0 0 36 38 1 0 0 0 0 65 76 1 1 0 0 0 9 10 1 0 0 0 0 67 77 1 1 0 0 0 37 39 1 0 0 0 0 70 78 1 0 0 0 0 M END > LMFA01031016 > mediomycin B > (2E,4E,6E,10E,13S,14S,15R,16E,18E,20E,22E,24E,26E,33R,35S,36E,39S,41R,43S,44E,47R,49S,50E,53R,55S)-58-amino-13,15,29,33,35,39,41,43,47,49,53,55-dodecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid > C62H97NO15 > 1095.69 > Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103] > - > > NVVJCDZZKMPNHL-LMFUHVRBSA-N > InChI=1S/C62H97NO15/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(77)78)61(76)48(4)59(74)37-22-18-14-9-7-5-6-8-13-17-21-36-58(73)47(3)60(75)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,37,45,47-59,61,64-74,76H,11,15,26,30-31,33,35-36,38-44,63H2,1-4H3,(H,77,78)/b6-5+,9-7+,12-10+,13-8+,18-14+,20-16+,21-17+,27-19+,29-23+,32-24+,34-25+,37-22+,46-28+/t45?,47?,48-,49+,50+,51+,52+,53-,54+,55-,56-,57+,58?,59+,61-/m0/s1 > C(C(O)C(C(C[C@H](O)C[C@H](O)/C=C/C[C@H](O)C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@H](O)/C=C/C[C@@H](O)C[C@@H](O)CCCN)=O)C)/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H]([C@H](C(/C=C/CC/C=C/C=C/C=C(\C)/C(=O)O)C)O)C > - > - > 66688 > - > - > - > 70697901 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110] > -; -; -; - > - > - $$$$