Mol:EEL1050
Copyright: ARM project http://www.metabolome.jp/
100102 0 0 0 0 0 0 0 0999 V2000
-13.0375 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4265 -0.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8154 0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1561 1.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2398 -0.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4292 0.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0162 1.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3819 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6676 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9532 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2386 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5242 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8099 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0955 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3809 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6665 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2377 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 1.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4056 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7712 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0568 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3424 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6279 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9137 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 -1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7755 -1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 -2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6676 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8099 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0568 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 1.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3466 -1.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7423 -1.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9275 -1.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0375 1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4189 -0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 -1.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 -1.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 0.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4218 -0.8986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0090 -1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3747 -2.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 -1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9460 -2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2313 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 -2.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8026 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 -2.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3737 -1.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 -2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 -1.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7636 0.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0491 0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3348 0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6202 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9061 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9113 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 1.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 1.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8024 -0.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -0.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0489 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 2.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 2.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -2.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 1.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1128 -1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1128 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -0.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6837 -1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6451 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6451 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0742 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0742 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7940 2.1075 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9690 2.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7940 1.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7940 2.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6106 2.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 2 6 1 0 2 5 1 0 7 4 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 16 15 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 27 26 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 5 22 1 0 9 33 1 0 13 34 1 0 17 35 1 0 21 36 1 0 24 37 1 0 28 38 1 0 32 39 1 0 21 40 1 0 32 41 1 0 1 42 1 0 42 43 1 0 44 45 1 0 45 46 1 0 46 47 1 0 45 49 1 0 45 48 1 0 50 47 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 63 62 1 0 64 63 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 70 69 1 0 72 71 1 0 73 72 1 0 74 73 1 0 75 74 1 0 48 65 1 0 52 76 1 0 56 77 1 0 60 78 1 0 64 79 1 0 67 80 1 0 71 81 1 0 75 82 1 0 64 83 1 0 75 84 1 0 40 84 1 0 41 83 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 85 89 1 0 27 86 1 0 28 89 1 0 90 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 90 94 1 0 71 90 1 0 70 93 1 0 95 96 1 0 95 97 1 0 95 98 2 0 96 99 1 0 44100 1 0
100 95 1 0 A 43 Glc A 99 Ino S SKP 6 AUTODRAW FALSE ID EEL1050 FORMULA C88H173O9P EXACTMASS 1405.281723644 AVERAGEMASS 1406.2835810000001 SMILES CC(C12)CCCC(C)CCC(C)CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(C3)CC(C3)C(C)CCCC(CCC(C)CCCC(C)CCCC(CCCC(CCOCC([H])(COP(OC)(O)=O)OCCC(C)CCCC(CC2)C1)C)C)C)C)(COC)[H])C)C)C M END
