Mol:EEL0092
Copyright: ARM project http://www.metabolome.jp/
100 99 0 0 0 0 0 0 0 0999 V2000
12.7101 -5.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2755 -4.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6636 -3.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2289 -3.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3918 -4.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3647 -3.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8777 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7846 1.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -1.6465 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -0.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4063 -1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -2.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4991 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3240 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0384 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7529 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4674 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1818 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8962 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6107 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3253 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0397 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7541 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4686 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1831 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8975 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6120 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3264 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1971 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7846 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1971 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0701 -0.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0701 0.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3555 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3555 -1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6411 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9267 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2122 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4977 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7833 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3544 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 1.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6481 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7915 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5058 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2203 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9348 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6493 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3637 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3637 1.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7927 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0782 0.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2052 0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2052 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7927 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7101 5.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2755 4.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6636 3.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2289 3.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3918 4.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3647 3.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8777 1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6420 1.6465 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -12.6420 0.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4063 1.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6420 2.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4991 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3240 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0384 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7529 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4674 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1818 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8962 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6107 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3253 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0397 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7541 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4686 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1831 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8975 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.6120 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.3264 -1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0993 -0.2778 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 3 6 1 0 3 5 1 0 7 9 1 0 9 10 2 0 9 11 1 0 9 12 1 0 12 4 1 0 8 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 8 29 1 0 29 30 1 0 30 31 1 0 31 7 1 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 2 0 68 69 1 0 68 70 1 0 68 71 1 0 71 72 1 0 73 74 1 0 74 75 1 0 75 76 1 0 75 78 1 0 75 77 1 0 79 80 1 0 80 81 2 0 80 82 1 0 80 83 1 0 83 76 1 0 84 85 2 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 94 95 1 0 95 96 1 0 96 97 1 0 97 98 1 0 98 99 1 0 72 84 1 0 70 79 1 0 68100 1 0 66100 1 0
S SKP 6 AUTODRAW FALSE ID EEL0092 FORMULA C76H148O18P2 EXACTMASS 1411.014090952 AVERAGEMASS 1411.925042 SMILES C(=CCCCCCCCCCCCCCC)OCC(COP(OCC(CO)([H])O)(O)=O)([H])OC(=O)CCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC(=O)OC(COP(OCC(CO)([H])O)(O)=O)([H])COC=CCCCCCCCCCCCCCC)C)C M END
