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| + | Copyright: ARM project http://www.metabolomics.jp/ |
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| 1 2 1 0 | | 1 2 1 0 |
− | 2 3 1 1 | + | 2 3 1 0 |
− | 3 4 1 1 | + | 3 4 1 0 |
− | 5 4 1 1 | + | 4 5 1 0 |
| 5 6 1 0 | | 5 6 1 0 |
− | 1 6 1 0 | + | 6 7 1 0 |
− | 7 2 1 0 | + | 7 1 1 0 |
− | 8 3 1 0 | + | 3 8 1 0 |
− | 4 9 1 0 | + | 3 9 1 0 |
− | 4 10 1 0 | + | 6 10 1 0 |
| 5 11 1 0 | | 5 11 1 0 |
− | 5 12 1 0
| + | 11 12 1 0 |
− | 3 13 1 0
| + | 12 13 1 0 |
− | 14 2 1 0 | + | 13 10 1 0 |
− | 1 15 1 0 | + | 4 13 1 6 |
− | 15 16 1 0 | + | 10 14 2 0 |
− | 17 18 1 0
| + | 6 15 1 1 |
− | 18 19 1 0
| + | S SKP 6 |
− | 19 20 1 0
| + | AUTODRAW FALSE |
− | 20 21 1 0
| + | ID (+)-Longifolene.Mol |
− | 21 22 2 0
| + | FORMULA C15H24 |
− | 20 23 1 0
| + | EXACTMASS 204.187800768 |
− | 24 19 1 0
| + | AVERAGEMASS 204.35106000000002 |
− | 24 25 1 0
| + | SMILES CC(C)(C2)C(C31)C(CC3)C(C)(CC2)C(=C)1 |
− | 25 26 1 0
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− | 27 28 1 0
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− | 59 60 2 0
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− | 60 61 2 0
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− | 61 62 2 0
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− | 62 63 2 0
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− | 63 64 2 0
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− | 64 65 2 0
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− | 65 66 2 0
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− | 69 70 2 0
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− | 97 98 1 0
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− | 98 99 1 0
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− | 103104 2 0
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− | 107108 1 0
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− | 108109 1 0
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− | 101110 2 0
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− | 102112 2 0
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− | 110111 1 0
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− | 111112 1 0
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− | 103119 1 0
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− | 116117 1 0
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− | 117118 1 0
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− | 118119 1 0
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− | M STY 1 1 SUP
| + | |
− | M SLB 1 1 1
| + | |
− | M SAL 1 2 15 16
| + | |
− | M SBL 1 1 15
| + | |
− | M SMT 1 CH2OH
| + | |
− | M SBV 1 15 0.0000 -0.7148
| + | |
− | M STY 1 2 SUP
| + | |
− | M SLB 1 2 2
| + | |
− | M SAL 2 14 30 31 32 33 34 35 36 37 38 39 40 41 42 43
| + | |
− | M SBL 2 1 28
| + | |
− | M SMT 2 [CH2]14
| + | |
− | M SBV 2 28 -1.0597 -0.0271
| + | |
− | M STY 1 3 SUP
| + | |
− | M SLB 1 3 3
| + | |
− | M SAL 3 15 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58
| + | |
− | M SAL 3 15 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73
| + | |
− | M SAL 3 15 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88
| + | |
− | M SAL 3 8 89 90 91 92 93 94 95 96
| + | |
− | M SBL 3 2 42 43
| + | |
− | M SMT 3 C27H54
| + | |
− | M SBV 3 42 -1.2114 0.0000
| + | |
− | M SBV 3 43 1.7455 0.0291
| + | |
− | M STY 1 4 SUP
| + | |
− | M SLB 1 4 4
| + | |
− | M SAL 4 4 106 107 108 109
| + | |
− | M SBL 4 2 74 75
| + | |
− | M SMT 4 (CH2)4
| + | |
− | M SBV 4 74 -0.5403 -0.0562
| + | |
− | M SBV 4 75 0.2684 1.1944
| + | |
− | M STY 1 5 SUP
| + | |
− | M SLB 1 5 5
| + | |
− | M SAL 5 3 110 111 112
| + | |
− | M SBL 5 2 79 80
| + | |
− | M SMT 5 CHCH2CH
| + | |
− | M SBV 5 79 -0.9974 0.0000
| + | |
− | M SBV 5 80 1.5055 0.7144
| + | |
− | M STY 1 6 SUP
| + | |
− | M SLB 1 6 6
| + | |
− | M SAL 6 7 113 114 115 116 117 118 119
| + | |
− | M SBL 6 2 83 84
| + | |
− | M SMT 6 (CH2)7
| + | |
− | M SBV 6 83 -0.8727 0.0000
| + | |
− | M SBV 6 84 -1.8421 2.1432
| + | |
− | S SKP 5
| + | |
− | ID Test
| + | |
− | FORMULA C83H137NO9 | + | |
− | EXACTMASS 1292.0293349869999 | + | |
− | AVERAGEMASS 1292.97722 | + | |
− | SMILES CCCCCCCCCCCCCCC=CC(O)C(CC)NC(CC(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)CO)=O | + | |
| M END | | M END |