Mol:EEL1021
Copyright: ARM project http://www.metabolome.jp/
106112 0 0 0 0 0 0 0 0999 V2000
10.7681 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1339 -2.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4195 -2.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7051 -2.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9906 -2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 -2.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 -0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 -1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 -1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2892 2.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 2.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 2.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1459 2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 2.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4194 -1.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 3.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 3.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0232 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 1.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 -1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1057 -2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 -2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5346 -2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5346 -1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7356 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0220 1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8757 3.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0932 3.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6488 1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9533 3.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3194 4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6048 3.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8906 4.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1758 3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4618 4.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7931 2.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 2.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6495 2.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9587 0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3247 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6099 0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8958 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1811 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4671 0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4712 -1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7572 -0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -1.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3282 -0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6040 2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6488 1.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6092 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4705 -2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2054 -0.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2059 0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6349 0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6344 -0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2903 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 3.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0048 4.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7198 3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7193 2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6951 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 2.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1005 -0.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 2.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 -1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1721 1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1721 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8859 -0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3157 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8450 -2.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6385 -1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7356 0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1247 -0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9381 -0.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1277 -1.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4402 1.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2037 -2.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1823 -3.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9148 -1.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2037 -3.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1823 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9148 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8985 -2.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0473 -1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9182 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8985 -3.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2037 -2.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0471 -0.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4679 -3.6110 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 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 3 17 1 0 7 18 1 0 11 19 1 0 12 20 1 0 16 21 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 22 26 1 0 12 22 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 27 31 1 0 6 30 1 0 7 27 1 0 32 33 1 0 33 34 1 0 34 35 1 0 33 36 1 0 37 35 1 0 38 37 1 0 39 38 1 0 40 39 1 0 41 40 1 0 42 41 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 55 54 1 0 56 55 1 0 57 56 1 0 58 57 1 0 36 48 1 0 39 59 1 0 43 60 1 0 47 61 1 0 50 62 1 0 54 63 1 0 58 64 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 65 69 1 0 54 65 1 0 53 68 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 70 74 1 0 42 73 1 0 43 70 1 0 33 75 1 0 47 76 1 0 58 77 1 0 16 78 1 0 11 79 1 0 77 79 1 0 76 78 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 80 84 1 0 25 80 1 0 83 85 1 0 85 86 1 0 1 87 1 0 87 88 1 0 89 90 1 0 90 92 1 0 90 91 1 0 89 93 1 0 86 91 1 0 88 90 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 32 1 0
A 106 Glc S SKP 6 AUTODRAW FALSE ID EEL1021 FORMULA C93H174O11 EXACTMASS 1467.30561641 AVERAGEMASS 1468.3700600000002 SMILES C(C5)(CCOCC([H])(COC(C7(CO)O)C(C(C7O)OC)O)OCCC(CCCC(C1)CCC(C(CCCC(CCC(CCCC(C)C(C2)CCC(CCCC(C)CCOCC(OCCC(C3)CCC3C(C6)CC(C6)C(C)CCCC(C)CCC(C)CCCC(C)C(C4)CCC4CC5)([H])CO)2)C)C)C)1)C)C M END
