Mol:EEL3051
Copyright: ARM project http://www.metabolome.jp/
106111 0 0 0 0 0 0 0 0999 V2000
13.0515 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5231 -0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3760 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 -2.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8189 -2.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1045 -2.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 -2.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6755 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 -2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 -1.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4608 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8265 1.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1120 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3977 1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6832 1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 1.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 2.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 2.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1044 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1496 0.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1119 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 3.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 3.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7561 1.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4218 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 -1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 -0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0515 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3379 1.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1916 3.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4091 3.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9647 1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2691 3.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6352 4.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9206 3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2064 4.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4915 3.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7775 4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 2.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 2.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2745 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6405 0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9257 0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2116 0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4968 0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 0.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 -1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 -0.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9198 2.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9642 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -2.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5215 0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 0.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9505 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6059 2.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 3.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3204 4.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0354 3.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0349 2.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0110 2.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 2.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4018 2.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4354 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3958 -2.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3744 -3.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1069 -1.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3958 -3.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3744 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1069 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0906 -2.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2395 -1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1103 -4.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0906 -3.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3958 -2.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2393 -0.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -3.6041 0.0000 C 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 5 1 0 6 4 1 0 7 6 1 0 8 7 1 0 9 8 1 0 10 9 1 0 11 10 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 24 23 1 0 25 24 1 0 26 25 1 0 27 26 1 0 5 17 1 0 8 28 1 0 12 29 1 0 16 30 1 0 19 31 1 0 23 32 1 0 27 33 1 0 1 34 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 35 39 1 0 23 35 1 0 22 38 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 40 44 1 0 11 43 1 0 12 40 1 0 2 45 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 51 49 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 56 55 1 0 58 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 63 62 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 69 68 1 0 70 69 1 0 71 70 1 0 72 71 1 0 50 62 1 0 53 73 1 0 57 74 1 0 61 75 1 0 64 76 1 0 68 77 1 0 72 78 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 79 83 1 0 68 79 1 0 67 82 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 84 88 1 0 56 87 1 0 57 84 1 0 47 89 1 0 61 90 1 0 72 91 1 0 27 92 1 0 16 93 1 0 91 93 1 0 90 92 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 46 1 0
A 106 Glc S SKP 6 AUTODRAW FALSE ID EEL3051 FORMULA C93H176O11 EXACTMASS 1469.321266474 AVERAGEMASS 1470.3859400000001 SMILES C(C4)OC(COCCC(CCCC(C2)CC(C(C)CCCC(CCC(C)CCCC(C(C6)CC(C6)CCCC(C)CCOC([H])(COCCC(C)CCCC(C3)CCC3C(CCCC(C)CCC(CCCC(C(C5)CC(C5)CCCC4C)C)C)C)CO)C)C)C2)C)([H])COC(C(O)(CO)1)C(C(OC)C1O)O M END
