Mol:EEL3022
Copyright: ARM project http://www.metabolome.jp/
96 96 0 0 0 0 0 0 0 0999 V2000 -11.5130 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6037 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8895 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1751 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4605 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7461 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0319 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3175 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6029 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8885 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4597 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6412 -1.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0068 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2924 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8635 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1493 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8895 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0319 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2924 -1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9662 0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3553 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6962 -0.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7797 0.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5565 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9222 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2078 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4935 -1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0645 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3502 -0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -1.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9213 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -1.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4926 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 -1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9454 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3111 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5966 1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8823 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1677 1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 1.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2077 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4925 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5964 2.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6888 2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9205 -1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3486 -1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3486 -1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4228 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9065 1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6218 1.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6416 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 2.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9815 -0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3715 0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7130 1.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7949 -0.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4815 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9569 -2.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4815 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1811 2.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4510 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4817 0.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1386 -2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0228 -2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 3 27 1 0 7 28 1 0 11 29 1 0 15 30 1 0 18 31 1 0 22 32 1 0 26 33 1 0 15 34 1 0 26 35 1 0 36 37 1 0 37 38 1 0 36 39 1 0 40 38 1 0 41 40 1 0 42 41 1 0 43 42 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 48 47 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 39 55 1 0 42 66 1 0 46 67 1 0 50 68 1 0 54 69 1 0 57 70 1 0 61 71 1 0 65 72 1 0 54 73 1 0 65 74 1 0 34 74 1 0 35 73 1 0 75 76 1 0 21 76 1 0 22 77 1 0 79 80 1 0 61 78 1 0 60 80 1 0 76 81 1 0 77 82 1 0 82 81 1 0 79 83 1 0 83 78 1 0 80 84 1 0 85 86 1 0 86 87 1 0 85 88 1 0 16 88 1 0 1 87 1 0 85 89 1 0 89 90 1 0 36 91 1 0 91 92 1 0 36 93 1 0 85 94 1 0 90 95 1 0 95 96 1 0
A 95 Gal A 96 Glc S SKP 6 AUTODRAW FALSE ID EEL3022 FORMULA C88H176O6 EXACTMASS 1329.346693364 AVERAGEMASS 1330.33544 SMILES C(C1)C(C)CCCC(C)CCC(CCCC(C)CCCC(C)CCCC(CCOCC(COCC)(OCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(CCCC(C)CCCC(CCCC(C)CCOCC(OCCC(CCCC(C1)C)C)([H])CO)C)C)[H])C)C M END
