Mol:EEL1023
Copyright: ARM project http://www.metabolome.jp/
106114 0 0 0 0 0 0 0 0999 V2000
4.0028 -0.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5739 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 -1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 2.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2548 2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5404 2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 2.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1449 -0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 3.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1114 3.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 2.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 2.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7855 -1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7855 -2.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 -2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -2.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 -1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2730 3.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6392 3.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9246 3.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2105 3.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4957 3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7817 3.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 2.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1131 2.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6844 2.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 2.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 -1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -1.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6482 -0.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 -1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9238 2.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8265 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 1.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 -2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9329 -2.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5253 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2399 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 -0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9543 -0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 2.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6107 3.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 3.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0397 3.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0392 2.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 2.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3971 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4307 -1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8519 0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8519 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5657 -0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2809 0.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2809 0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7097 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0922 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0922 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3784 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6632 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6632 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5211 1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7435 1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1335 2.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4750 3.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5568 1.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2847 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2436 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 -2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6637 -3.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3789 -2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3411 -3.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7695 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1468 -2.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2795 -3.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5555 -0.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2847 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9844 0.6523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2543 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0829 -3.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8084 -2.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7870 -3.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5195 -1.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8084 -3.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7870 -2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5195 -2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5031 -2.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6520 -1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5229 -3.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5031 -3.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8084 -2.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6518 -0.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 -3.4185 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 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 1 11 1 0 5 12 1 0 6 13 1 0 10 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 15 19 1 0 6 15 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 20 24 1 0 1 20 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 37 36 1 0 38 37 1 0 39 38 1 0 40 39 1 0 27 41 1 0 31 42 1 0 35 43 1 0 36 44 1 0 40 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 46 50 1 0 36 46 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 51 55 1 0 30 54 1 0 31 51 1 0 35 56 1 0 40 57 1 0 10 58 1 0 5 59 1 0 57 59 1 0 56 58 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 18 60 1 0 63 65 1 0 65 66 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 67 71 1 0 49 71 1 0 68 72 1 0 72 73 1 0 74 75 1 0 75 76 1 0 74 77 1 0 74 78 1 0 74 79 1 0 25 76 1 0 77 73 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 23 80 1 0 83 85 1 0 86 87 1 0 87 88 1 0 86 89 1 0 86 90 1 0 90 91 1 0 86 92 1 0 66 89 1 0 85 93 1 0 88 93 1 0
100 94 1 1
99 94 1 1 98100 1 1 98 95 1 0 99 96 1 0 94 97 1 0
101 98 1 0
99101 1 0 97102 1 0
100103 1 0
94104 1 0
101105 1 0
95106 1 0 96 78 1 0
A 106 Glc S SKP 6 AUTODRAW FALSE ID EEL1023 FORMULA C93H170O11 EXACTMASS 1463.274316282 AVERAGEMASS 1464.3383000000001 SMILES C(C6)C(CCC(C)CCCC(C(C9)CC(C9)C(C1)CCC1CCOCC([H])(CO)OCCC(C8)CC(C8)C(C2)CCC(C(CCCC(CCC(CCCC(C)C(C7)CC(C7)CCCC(CCOCC(OCCC(C4)CCC4C(C5)CCC5C(C)C6)([H])COC(C(O)(CO)3)C(C(OC)C3O)O)C)C)C)C)2)C)C M END
